Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.

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4,681 – 4,695 of 22,288 results

4,681

Methyl 3-(4-Methoxycarbonylphenyl)propionate 97.0+%, TCI America™

CAS: 40912-11-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00059305 InChI Key: MLKXCCLYRPKSBM-UHFFFAOYSA-N Synonym: 3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester, 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester PubChem CID: 595759 IUPAC Name: methyl 4-(3-methoxy-3-oxopropyl)benzoate SMILES: COC(=O)CCC1=CC=C(C=C1)C(=O)OC

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PubChem CID	595759
CAS	40912-11-6
Molecular Weight (g/mol)	222.24
MDL Number	MFCD00059305
SMILES	COC(=O)CCC1=CC=C(C=C1)C(=O)OC
Synonym	3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester, 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester
IUPAC Name	methyl 4-(3-methoxy-3-oxopropyl)benzoate
InChI Key	MLKXCCLYRPKSBM-UHFFFAOYSA-N
Molecular Formula	C12H14O4

4,682

Sultamicillin Tosylate Dihydrate 98.0+%, TCI America™

CAS: 83105-70-8 Molecular Formula: C32H42N4O14S3 Molecular Weight (g/mol): 802.882 MDL Number: MFCD01682151 InChI Key: KNVDAMRBJYZXRW-ZLNTYAKYSA-N Synonym: Sultamicillin Tosilate PubChem CID: 71775005 IUPAC Name: [(5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-methylbenzenesulfonic acid;dihydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C.O.O

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Specifications

PubChem CID	71775005
CAS	83105-70-8
Molecular Weight (g/mol)	802.882
MDL Number	MFCD01682151
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C.O.O
Synonym	Sultamicillin Tosilate
IUPAC Name	[(5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-methylbenzenesulfonic acid;dihydrate
InChI Key	KNVDAMRBJYZXRW-ZLNTYAKYSA-N
Molecular Formula	C32H42N4O14S3

4,683

Methyl (S)-(-)-3-Bromoisobutyrate 97.0+%, TCI America™

CAS: 98190-85-3 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00064487 InChI Key: FKWNAVCXZSQYTA-UHFFFAOYNA-N Synonym: (S)-(-)-3-Bromo-2-methylpropionic Acid Methyl Ester, (S)-(-)-3-Bromoisobutyric Acid Methyl Ester, Methyl (S)-(-)-3-Bromo-2-methylpropionate PubChem CID: 5479124 IUPAC Name: methyl 3-bromo-2-methylpropanoate SMILES: COC(=O)C(C)CBr

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Specifications

PubChem CID	5479124
CAS	98190-85-3
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00064487
SMILES	COC(=O)C(C)CBr
Synonym	(S)-(-)-3-Bromo-2-methylpropionic Acid Methyl Ester, (S)-(-)-3-Bromoisobutyric Acid Methyl Ester, Methyl (S)-(-)-3-Bromo-2-methylpropionate
IUPAC Name	methyl 3-bromo-2-methylpropanoate
InChI Key	FKWNAVCXZSQYTA-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

4,684

Dimethyl trans-1,4-Cyclohexanedicarboxylate 96.0+%, TCI America™

CAS: 3399-22-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00063917,MFCD00001460,MFCD00216473 InChI Key: LNGAGQAGYITKCW-UHFFFAOYSA-N Synonym: dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv PubChem CID: 7198 IUPAC Name: 1,4-dimethyl cyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CCC(CC1)C(=O)OC

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Specifications

PubChem CID	7198
CAS	3399-22-2
Molecular Weight (g/mol)	200.23
MDL Number	MFCD00063917,MFCD00001460,MFCD00216473
SMILES	COC(=O)C1CCC(CC1)C(=O)OC
Synonym	dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv
IUPAC Name	1,4-dimethyl cyclohexane-1,4-dicarboxylate
InChI Key	LNGAGQAGYITKCW-UHFFFAOYSA-N
Molecular Formula	C10H16O4

4,685

N-Methylmethanesulfonamide 98.0+%, TCI America™

CAS: 1184-85-6 Molecular Formula: C2H7NO2S Molecular Weight (g/mol): 109.143 MDL Number: MFCD00776277 InChI Key: UHNHTTIUNATJKL-UHFFFAOYSA-N PubChem CID: 97632 IUPAC Name: N-methylmethanesulfonamide SMILES: CNS(=O)(=O)C

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Specifications

PubChem CID	97632
CAS	1184-85-6
Molecular Weight (g/mol)	109.143
MDL Number	MFCD00776277
SMILES	CNS(=O)(=O)C
IUPAC Name	N-methylmethanesulfonamide
InChI Key	UHNHTTIUNATJKL-UHFFFAOYSA-N
Molecular Formula	C2H7NO2S

4,686

1-(Methylsulfonyl)piperazine 98.0+%, TCI America™

CAS: 55276-43-2 Molecular Formula: C5H13N2O2S Molecular Weight (g/mol): 165.23 MDL Number: MFCD02153225 InChI Key: ZZAKLGGGMWORRT-UHFFFAOYSA-O Synonym: 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine PubChem CID: 709161 IUPAC Name: 4-methanesulfonylpiperazin-1-ium SMILES: CS(=O)(=O)N1CC[NH2+]CC1

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Specifications

PubChem CID	709161
CAS	55276-43-2
Molecular Weight (g/mol)	165.23
MDL Number	MFCD02153225
SMILES	CS(=O)(=O)N1CC[NH2+]CC1
Synonym	1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine
IUPAC Name	4-methanesulfonylpiperazin-1-ium
InChI Key	ZZAKLGGGMWORRT-UHFFFAOYSA-O
Molecular Formula	C5H13N2O2S

4,687

trans-2-Hexenyl Butyrate 93.0+%, TCI America™

CAS: 53398-83-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00036546 InChI Key: PCGACKLJNBBQGM-VOTSOKGWSA-N Synonym: Butyric Acid trans-2-Hexenyl Ester PubChem CID: 5352461 IUPAC Name: [(E)-hex-2-enyl] butanoate SMILES: CCCC=CCOC(=O)CCC

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Specifications

PubChem CID	5352461
CAS	53398-83-7
Molecular Weight (g/mol)	170.252
MDL Number	MFCD00036546
SMILES	CCCC=CCOC(=O)CCC
Synonym	Butyric Acid trans-2-Hexenyl Ester
IUPAC Name	[(E)-hex-2-enyl] butanoate
InChI Key	PCGACKLJNBBQGM-VOTSOKGWSA-N
Molecular Formula	C10H18O2

4,688

Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate 97.0+%, TCI America™

CAS: 88767-98-0 Molecular Formula: C13H15F3O5S Molecular Weight (g/mol): 340.313 MDL Number: MFCD09751096 InChI Key: UDJNHUAEPSYCRU-LLVKDONJSA-N Synonym: (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester PubChem CID: 10860745 IUPAC Name: ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate SMILES: CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	10860745
CAS	88767-98-0
Molecular Weight (g/mol)	340.313
MDL Number	MFCD09751096
SMILES	CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
Synonym	(R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester
IUPAC Name	ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
InChI Key	UDJNHUAEPSYCRU-LLVKDONJSA-N
Molecular Formula	C13H15F3O5S

4,689

2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Methanesulfonate 98.0+%, TCI America™

CAS: 160969-03-9 Molecular Formula: C11H13F3O5S Molecular Weight (g/mol): 314.275 MDL Number: MFCD16038209 InChI Key: HOJMCBMXHWZNKX-UHFFFAOYSA-N Synonym: Methanesulfonic Acid 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Ester PubChem CID: 10519307 IUPAC Name: 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate SMILES: CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F

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Specifications

PubChem CID	10519307
CAS	160969-03-9
Molecular Weight (g/mol)	314.275
MDL Number	MFCD16038209
SMILES	CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
Synonym	Methanesulfonic Acid 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Ester
IUPAC Name	2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate
InChI Key	HOJMCBMXHWZNKX-UHFFFAOYSA-N
Molecular Formula	C11H13F3O5S

4,690

3-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate 95.0+%, TCI America™

CAS: 217813-03-1 Molecular Formula: C11H15F3O4SSi Molecular Weight (g/mol): 328.38 MDL Number: MFCD10566916 InChI Key: OJVREKSBMMQLBJ-UHFFFAOYSA-N Synonym: 3-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 3-Methoxy-2-(trimethylsilyl)phenyl Ester PubChem CID: 11023933 IUPAC Name: 3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate SMILES: COC1=C(C(OS(=O)(=O)C(F)(F)F)=CC=C1)[Si](C)(C)C

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Specifications

PubChem CID	11023933
CAS	217813-03-1
Molecular Weight (g/mol)	328.38
MDL Number	MFCD10566916
SMILES	COC1=C(C(OS(=O)(=O)C(F)(F)F)=CC=C1)[Si](C)(C)C
Synonym	3-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 3-Methoxy-2-(trimethylsilyl)phenyl Ester
IUPAC Name	3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate
InChI Key	OJVREKSBMMQLBJ-UHFFFAOYSA-N
Molecular Formula	C11H15F3O4SSi

4,691

4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate 95.0+%, TCI America™

CAS: 556812-41-0 Molecular Formula: C11H15F3O4SSi Molecular Weight (g/mol): 328.377 InChI Key: IPZYLSPWZUDOHB-UHFFFAOYSA-N Synonym: 4-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 4-Methoxy-2-(trimethylsilyl)phenyl Ester PubChem CID: 12182644 IUPAC Name: (4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate SMILES: COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C

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Specifications

PubChem CID	12182644
CAS	556812-41-0
Molecular Weight (g/mol)	328.377
SMILES	COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
Synonym	4-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 4-Methoxy-2-(trimethylsilyl)phenyl Ester
IUPAC Name	(4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
InChI Key	IPZYLSPWZUDOHB-UHFFFAOYSA-N
Molecular Formula	C11H15F3O4SSi

4,692

Benzenesulfonic Anhydride 96.0+%, TCI America™

CAS: 512-35-6 Molecular Formula: C12H10O5S2 Molecular Weight (g/mol): 298.327 MDL Number: MFCD00054601 InChI Key: MLWPJXZKQOPTKZ-UHFFFAOYSA-N PubChem CID: 11335509 IUPAC Name: benzenesulfonyl benzenesulfonate SMILES: C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=CC=C2

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Specifications

PubChem CID	11335509
CAS	512-35-6
Molecular Weight (g/mol)	298.327
MDL Number	MFCD00054601
SMILES	C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=CC=C2
IUPAC Name	benzenesulfonyl benzenesulfonate
InChI Key	MLWPJXZKQOPTKZ-UHFFFAOYSA-N
Molecular Formula	C12H10O5S2

4,693

2-Thiophenesulfonamide 98.0+%, TCI America™

CAS: 6339-87-3 Molecular Formula: C4H5NO2S2 Molecular Weight (g/mol): 163.209 MDL Number: MFCD00185853 InChI Key: KTFDYVNEGTXQCV-UHFFFAOYSA-N PubChem CID: 72881 ChEBI: CHEBI:79403 IUPAC Name: thiophene-2-sulfonamide SMILES: C1=CSC(=C1)S(=O)(=O)N

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Specifications

PubChem CID	72881
CAS	6339-87-3
Molecular Weight (g/mol)	163.209
ChEBI	CHEBI:79403
MDL Number	MFCD00185853
SMILES	C1=CSC(=C1)S(=O)(=O)N
IUPAC Name	thiophene-2-sulfonamide
InChI Key	KTFDYVNEGTXQCV-UHFFFAOYSA-N
Molecular Formula	C4H5NO2S2

4,694

Sodium 1-Decanesulfonate 98.0+%, TCI America™

CAS: 13419-61-9 Molecular Formula: C10H21NaO3S Molecular Weight (g/mol): 244.325 MDL Number: MFCD00007526 InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M Synonym: sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt PubChem CID: 2724181 IUPAC Name: sodium;decane-1-sulfonate SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]

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Specifications

PubChem CID	2724181
CAS	13419-61-9
Molecular Weight (g/mol)	244.325
MDL Number	MFCD00007526
SMILES	CCCCCCCCCCS(=O)(=O)[O-].[Na+]
Synonym	sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt
IUPAC Name	sodium;decane-1-sulfonate
InChI Key	AIMUHNZKNFEZSN-UHFFFAOYSA-M
Molecular Formula	C10H21NaO3S

4,695

4-(2-Bromoethyl)benzenesulfonic Acid 97.0+%, TCI America™

CAS: 54322-31-5 Molecular Formula: C8H9BrO3S Molecular Weight (g/mol): 265.121 MDL Number: MFCD01861279 InChI Key: XRPCDXSRXPQUKT-UHFFFAOYSA-N PubChem CID: 103071 IUPAC Name: 4-(2-bromoethyl)benzenesulfonic acid SMILES: C1=CC(=CC=C1CCBr)S(=O)(=O)O

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Specifications

PubChem CID	103071
CAS	54322-31-5
Molecular Weight (g/mol)	265.121
MDL Number	MFCD01861279
SMILES	C1=CC(=CC=C1CCBr)S(=O)(=O)O
IUPAC Name	4-(2-bromoethyl)benzenesulfonic acid
InChI Key	XRPCDXSRXPQUKT-UHFFFAOYSA-N
Molecular Formula	C8H9BrO3S

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