Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

16 – 30 of 1,426 results

1-Propanesulfonic acid, 95%

CAS: 5284-66-2 Molecular Formula: C₃H₈O₃S Molecular Weight (g/mol): 124.16 MDL Number: MFCD00041889 InChI Key: KCXFHTAICRTXLI-UHFFFAOYSA-N Synonym: 1-propanesulfonic acid,propanesulfonic acid,propylsulfonic acid,propanesulfonate,propanesulphonic acid,ammonium propanesulfonate,propane-1-sulphonic acid,ncistruc1_001874,ncistruc2_000257,1-propanesulfonic acid, technical t PubChem CID: 78938 IUPAC Name: propane-1-sulfonic acid SMILES: CCCS(=O)(=O)O

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PubChem CID	78938
CAS	5284-66-2
Molecular Weight (g/mol)	124.16
MDL Number	MFCD00041889
SMILES	CCCS(=O)(=O)O
Synonym	1-propanesulfonic acid,propanesulfonic acid,propylsulfonic acid,propanesulfonate,propanesulphonic acid,ammonium propanesulfonate,propane-1-sulphonic acid,ncistruc1_001874,ncistruc2_000257,1-propanesulfonic acid, technical t
IUPAC Name	propane-1-sulfonic acid
InChI Key	KCXFHTAICRTXLI-UHFFFAOYSA-N
Molecular Formula	C₃H₈O₃S

2,2,2-Trifluoroethyl trifluoromethanesulfonate, 97%

CAS: 6226-25-1 Molecular Formula: C₃H₂F₆O₃S Molecular Weight (g/mol): 232.1 InChI Key: RTMMSCJWQYWMNK-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate PubChem CID: 80366 IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	80366
CAS	6226-25-1
Molecular Weight (g/mol)	232.1
SMILES	C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
Synonym	2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate
IUPAC Name	2,2,2-trifluoroethyl trifluoromethanesulfonate
InChI Key	RTMMSCJWQYWMNK-UHFFFAOYSA-N
Molecular Formula	C₃H₂F₆O₃S

Propyl p-toluenesulfonate, 98+%

CAS: 599-91-7 Molecular Formula: C₁₀H₁₄O₃S Molecular Weight (g/mol): 214.28 MDL Number: MFCD00059244 InChI Key: JTTWNTXHFYNETH-UHFFFAOYSA-N Synonym: propyl p-toluenesulfonate,propyl tosylate,benzenesulfonic acid, 4-methyl-, propyl ester,p-toluenesulfonic acid, propyl ester,propyl toluene-4-sulphonate,ccris 9150,p-toluenesulfonic acid n-propyl ester,p-toluenesulfonic acid propyl ester,propanol tosylate,acmc-209mha PubChem CID: 69035 IUPAC Name: propyl 4-methylbenzenesulfonate SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C

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Specifications

PubChem CID	69035
CAS	599-91-7
Molecular Weight (g/mol)	214.28
MDL Number	MFCD00059244
SMILES	CCCOS(=O)(=O)C1=CC=C(C=C1)C
Synonym	propyl p-toluenesulfonate,propyl tosylate,benzenesulfonic acid, 4-methyl-, propyl ester,p-toluenesulfonic acid, propyl ester,propyl toluene-4-sulphonate,ccris 9150,p-toluenesulfonic acid n-propyl ester,p-toluenesulfonic acid propyl ester,propanol tosylate,acmc-209mha
IUPAC Name	propyl 4-methylbenzenesulfonate
InChI Key	JTTWNTXHFYNETH-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O₃S

1-Butanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium;butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O

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Specifications

PubChem CID	4096517
CAS	2386-54-1
Molecular Weight (g/mol)	160.16
MDL Number	MFCD00007540
SMILES	[Na+].CCCCS([O-])(=O)=O
Synonym	sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot
IUPAC Name	sodium;butane-1-sulfonate
InChI Key	XQCHMGAOAWZUPI-UHFFFAOYSA-M
Molecular Formula	C4H9NaO3S

4-Nitrophenyl trifluoromethanesulfonate, 99%, Thermo Scientific™

CAS: 17763-80-3 Molecular Formula: C7H4F3NO5S Molecular Weight (g/mol): 271.17 MDL Number: MFCD00192354 InChI Key: NDTIXHNCNLKURN-UHFFFAOYSA-N Synonym: trifluoromethanesulfonic acid 4-nitrophenyl ester,4-nitrophenyltriflate,4-nitrophenyl triflate,acmc-20amc8,4-nitrophenyl trifluoromethyl sulfonate,4-nitrophenyl trifluoromethanesulfonate,1-trifluoromethylsulfonyloxy-4-nitrobenzene,4-trifluoromethylsulfonyloxy-1-nitrobenzene PubChem CID: 549870 IUPAC Name: (4-nitrophenyl) trifluoromethanesulfonate SMILES: [O-][N+](=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1

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Specifications

PubChem CID	549870
CAS	17763-80-3
Molecular Weight (g/mol)	271.17
MDL Number	MFCD00192354
SMILES	[O-][N+](=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1
Synonym	trifluoromethanesulfonic acid 4-nitrophenyl ester,4-nitrophenyltriflate,4-nitrophenyl triflate,acmc-20amc8,4-nitrophenyl trifluoromethyl sulfonate,4-nitrophenyl trifluoromethanesulfonate,1-trifluoromethylsulfonyloxy-4-nitrobenzene,4-trifluoromethylsulfonyloxy-1-nitrobenzene
IUPAC Name	(4-nitrophenyl) trifluoromethanesulfonate
InChI Key	NDTIXHNCNLKURN-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO5S

3-Pyridinesulfonic acid, 98%

CAS: 636-73-7 Molecular Formula: C5H4NO3S Molecular Weight (g/mol): 158.15 MDL Number: MFCD00006381 InChI Key: DVECLMOWYVDJRM-UHFFFAOYSA-M Synonym: 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 PubChem CID: 69468 IUPAC Name: pyridine-3-sulfonic acid SMILES: [O-]S(=O)(=O)C1=CC=CN=C1

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Specifications

PubChem CID	69468
CAS	636-73-7
Molecular Weight (g/mol)	158.15
MDL Number	MFCD00006381
SMILES	[O-]S(=O)(=O)C1=CC=CN=C1
Synonym	3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7
IUPAC Name	pyridine-3-sulfonic acid
InChI Key	DVECLMOWYVDJRM-UHFFFAOYSA-M
Molecular Formula	C5H4NO3S

1,4-Butane sultone, 99+%

CAS: 1633-83-6 Molecular Formula: C4H8O3S Molecular Weight (g/mol): 136.17 MDL Number: MFCD00006584 InChI Key: MHYFEEDKONKGEB-UHFFFAOYSA-N Synonym: 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone PubChem CID: 15411 IUPAC Name: oxathiane 2,2-dioxide SMILES: O=S1(=O)CCCCO1

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Specifications

PubChem CID	15411
CAS	1633-83-6
Molecular Weight (g/mol)	136.17
MDL Number	MFCD00006584
SMILES	O=S1(=O)CCCCO1
Synonym	1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone
IUPAC Name	oxathiane 2,2-dioxide
InChI Key	MHYFEEDKONKGEB-UHFFFAOYSA-N
Molecular Formula	C4H8O3S

Methyl methanesulfonate, 99%

CAS: 66-27-3 Molecular Formula: C₂H₆O₃S Molecular Weight (g/mol): 110.13 MDL Number: MFCD00007557 InChI Key: MBABOKRGFJTBAE-UHFFFAOYSA-N Synonym: methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate PubChem CID: 4156 ChEBI: CHEBI:25255 IUPAC Name: methyl methanesulfonate SMILES: COS(=O)(=O)C

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Specifications

PubChem CID	4156
CAS	66-27-3
Molecular Weight (g/mol)	110.13
ChEBI	CHEBI:25255
MDL Number	MFCD00007557
SMILES	COS(=O)(=O)C
Synonym	methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate
IUPAC Name	methyl methanesulfonate
InChI Key	MBABOKRGFJTBAE-UHFFFAOYSA-N
Molecular Formula	C₂H₆O₃S

2-Acrylamido-2-methylpropanesulfonic acid, 97%

CAS: 15214-89-8 Molecular Formula: C7H13NO4S Molecular Weight (g/mol): 207.24 MDL Number: MFCD00007522 InChI Key: XHZPRMZZQOIPDS-UHFFFAOYSA-N Synonym: 2-acrylamido-2-methylpropanesulfonic acid,2-acrylamido-2-methyl-1-propanesulfonic acid,2-acrylamide-2-methylpropanesulfonic acid,1-propanesulfonic acid, 2-methyl-2-1-oxo-2-propenyl amino,polyacrylamidomethylpropane sulfonic acid,unii-490hqe5ki5,2-acrylamido-2-methylpropanesulfonate,2-acrylamido-2-methylpropanesulphonic acid,2-acrylamido-2-methylpropane sulfonic acid,2-acrylamido-2-methylpropane-1-sulfonic acid PubChem CID: 65360 IUPAC Name: 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid SMILES: CC(C)(CS(O)(=O)=O)NC(=O)C=C

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Specifications

PubChem CID	65360
CAS	15214-89-8
Molecular Weight (g/mol)	207.24
MDL Number	MFCD00007522
SMILES	CC(C)(CS(O)(=O)=O)NC(=O)C=C
Synonym	2-acrylamido-2-methylpropanesulfonic acid,2-acrylamido-2-methyl-1-propanesulfonic acid,2-acrylamide-2-methylpropanesulfonic acid,1-propanesulfonic acid, 2-methyl-2-1-oxo-2-propenyl amino,polyacrylamidomethylpropane sulfonic acid,unii-490hqe5ki5,2-acrylamido-2-methylpropanesulfonate,2-acrylamido-2-methylpropanesulphonic acid,2-acrylamido-2-methylpropane sulfonic acid,2-acrylamido-2-methylpropane-1-sulfonic acid
IUPAC Name	2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
InChI Key	XHZPRMZZQOIPDS-UHFFFAOYSA-N
Molecular Formula	C7H13NO4S

Metanilic acid, 98%

CAS: 121-47-1 Molecular Formula: C₆H₇NO₃S Molecular Weight (g/mol): 173.19 MDL Number: MFCD00065345 InChI Key: ZAJAQTYSTDTMCU-UHFFFAOYSA-N Synonym: metanilic acid,m-sulfanilic acid,m-aminobenzenesulfonic acid,m-anilinesulfonic acid,1-aminobenzene-3-sulfonic acid,benzenesulfonic acid, 3-amino,aminobenzenesulfonic acid,kyselina metanilova,3-amino-benzenesulfonic acid,3-sulfoaniline PubChem CID: 8474 ChEBI: CHEBI:27764 IUPAC Name: 3-aminobenzenesulfonic acid SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)N

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Specifications

PubChem CID	8474
CAS	121-47-1
Molecular Weight (g/mol)	173.19
ChEBI	CHEBI:27764
MDL Number	MFCD00065345
SMILES	C1=CC(=CC(=C1)S(=O)(=O)O)N
Synonym	metanilic acid,m-sulfanilic acid,m-aminobenzenesulfonic acid,m-anilinesulfonic acid,1-aminobenzene-3-sulfonic acid,benzenesulfonic acid, 3-amino,aminobenzenesulfonic acid,kyselina metanilova,3-amino-benzenesulfonic acid,3-sulfoaniline
IUPAC Name	3-aminobenzenesulfonic acid
InChI Key	ZAJAQTYSTDTMCU-UHFFFAOYSA-N
Molecular Formula	C₆H₇NO₃S

(R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate), 97%, Thermo Scientific™

CAS: 126613-06-7 Molecular Formula: C22H12F6O6S2 Molecular Weight (g/mol): 550.44 MDL Number: MFCD00274615 InChI Key: OYJLCOSEYYZULE-UHFFFAOYSA-N Synonym: r-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,s-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,r---1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r---1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,s-+-1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r-1,1'-binaphthyl-2,2'-diyl bis trifluoromethane sulphonate,s-+-1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,1,1'-bi-2-naphthol bis trifluoromethanesulfonate,s-1,1'-bi 2-naphthol bis trifluoromethanesulfonate,r---binol-tf2 PubChem CID: 389883 IUPAC Name: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate SMILES: FC(F)(F)S(=O)(=O)OC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	389883
CAS	126613-06-7
Molecular Weight (g/mol)	550.44
MDL Number	MFCD00274615
SMILES	FC(F)(F)S(=O)(=O)OC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OS(=O)(=O)C(F)(F)F
Synonym	r-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,s-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,r---1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r---1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,s-+-1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r-1,1'-binaphthyl-2,2'-diyl bis trifluoromethane sulphonate,s-+-1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,1,1'-bi-2-naphthol bis trifluoromethanesulfonate,s-1,1'-bi 2-naphthol bis trifluoromethanesulfonate,r---binol-tf2
IUPAC Name	[1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
InChI Key	OYJLCOSEYYZULE-UHFFFAOYSA-N
Molecular Formula	C22H12F6O6S2

Propargyl p-toluenesulfonate, 97%

CAS: 6165-76-0 Molecular Formula: C₁₀H₁₀O₃S Molecular Weight (g/mol): 210.25 MDL Number: MFCD01462194 InChI Key: LMBVCSFXFFROTA-UHFFFAOYSA-N Synonym: propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 PubChem CID: 22547 IUPAC Name: prop-2-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC#C

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Specifications

PubChem CID	22547
CAS	6165-76-0
Molecular Weight (g/mol)	210.25
MDL Number	MFCD01462194
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCC#C
Synonym	propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7
IUPAC Name	prop-2-ynyl 4-methylbenzenesulfonate
InChI Key	LMBVCSFXFFROTA-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O₃S

Isopropyl methanesulfonate, 99%

CAS: 926-06-7 Molecular Formula: C₄H₁₀O₃S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00047802 InChI Key: SWWHCQCMVCPLEQ-UHFFFAOYSA-N Synonym: isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b PubChem CID: 13551 IUPAC Name: propan-2-yl methanesulfonate SMILES: CC(C)OS(=O)(=O)C

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Specifications

PubChem CID	13551
CAS	926-06-7
Molecular Weight (g/mol)	138.19
MDL Number	MFCD00047802
SMILES	CC(C)OS(=O)(=O)C
Synonym	isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b
IUPAC Name	propan-2-yl methanesulfonate
InChI Key	SWWHCQCMVCPLEQ-UHFFFAOYSA-N
Molecular Formula	C₄H₁₀O₃S

Dodecylbenzene sulfonic acid, mixture of C10-C13 isomers

CAS: 85536-14-7 MDL Number: MFCD00066677 Synonym: dodecylbenzenesulphonic acid,benzenesulfonic acid, 2-dodecyl,dodecyl benzene sulfonic acid,o-dodecylbenzenesulfonic acid,unii-qmo4a07h35,dodecyl benzenesulfonic acid,dodecylbenzene sulfonic acid,dodecylbenzenesulfonicacid,2-dodecylbenzenesulphonic acid,dodecyl benzene sulphonic acid

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Specifications

CAS	85536-14-7
MDL Number	MFCD00066677
Synonym	dodecylbenzenesulphonic acid,benzenesulfonic acid, 2-dodecyl,dodecyl benzene sulfonic acid,o-dodecylbenzenesulfonic acid,unii-qmo4a07h35,dodecyl benzenesulfonic acid,dodecylbenzene sulfonic acid,dodecylbenzenesulfonicacid,2-dodecylbenzenesulphonic acid,dodecyl benzene sulphonic acid

Thermo Scientific Chemicals Sulforhodamine 101 (free acid), 99%, pure, laser grade

CAS: 60311-02-6 Molecular Formula: C31H29ClN2O6S2 Molecular Weight (g/mol): 625.15 MDL Number: MFCD00012407 InChI Key: MPLHNVLQVRSVEE-UHFFFAOYSA-N Synonym: sulforhodamine 101,sulforhodamine 101; sulforhodamine 640,unii-fx0es3271v,texas red, sulforhodamine 101 acid chloride,2-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido 3,2,1-ij quinolizino 1',9':6,7,8 chromeno 2,3-f quinolin-4-ium-9-yl-5-sulfobenzenesulfonate,16-4-sulfo-2-sulfonatophenyl-3-oxa-9$l^ 5 ,23-diazaheptacyclo 17.7.1.1^ 5,9 .0^ 2,17 .0^ 4,15 .0^ 23,27 .0^ 13,28 octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9??,23-diazaheptacyclo 17.7.1.1?,?.0 2 , 1 ?.0?, 1 ?.0 2 3 , 2 ?.0 1 3 , 2 ? octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9lambda,23-diazaheptacyclo 17.7.1.1,.0 2 , 1 .0, 1 .0 2 3 , 2 .0 1 3 , 2 octacosa-1,4,9 28 ,13,15,17,19 27-heptaen-9-ylium,9-2,4-disulfophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium inner salt,hydrogen 9-2,4-disulphonatophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium PubChem CID: 122180 ChEBI: CHEBI:52274 IUPAC Name: 16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium SMILES: [O-]S(=O)(=O)C1=CC(=CC=C1C1=C2C=C3CCCN4CCCC(C2=[O+]C2=C5CCCN6CCCC(C=C12)=C56)=C34)S(Cl)(=O)=O

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Specifications

PubChem CID	122180
CAS	60311-02-6
Molecular Weight (g/mol)	625.15
ChEBI	CHEBI:52274
MDL Number	MFCD00012407
SMILES	[O-]S(=O)(=O)C1=CC(=CC=C1C1=C2C=C3CCCN4CCCC(C2=[O+]C2=C5CCCN6CCCC(C=C12)=C56)=C34)S(Cl)(=O)=O
Synonym	sulforhodamine 101,sulforhodamine 101; sulforhodamine 640,unii-fx0es3271v,texas red, sulforhodamine 101 acid chloride,2-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido 3,2,1-ij quinolizino 1',9':6,7,8 chromeno 2,3-f quinolin-4-ium-9-yl-5-sulfobenzenesulfonate,16-4-sulfo-2-sulfonatophenyl-3-oxa-9$l^ 5 ,23-diazaheptacyclo 17.7.1.1^ 5,9 .0^ 2,17 .0^ 4,15 .0^ 23,27 .0^ 13,28 octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9??,23-diazaheptacyclo 17.7.1.1?,?.0 2 , 1 ?.0?, 1 ?.0 2 3 , 2 ?.0 1 3 , 2 ? octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9lambda,23-diazaheptacyclo 17.7.1.1,.0 2 , 1 .0, 1 .0 2 3 , 2 .0 1 3 , 2 octacosa-1,4,9 28 ,13,15,17,19 27-heptaen-9-ylium,9-2,4-disulfophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium inner salt,hydrogen 9-2,4-disulphonatophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium
IUPAC Name	16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium
InChI Key	MPLHNVLQVRSVEE-UHFFFAOYSA-N
Molecular Formula	C31H29ClN2O6S2

Organic sulfonic acids and derivatives

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