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Benzenesulfonic acids and derivatives

Organosulfur compounds that consist of sulfonic acid bonded to a benzene ring. Includes compounds derived from benzenesulfonic acid.
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1 – 15 of 33 results
1

4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime 98.0+%, TCI America™

CAS: 1655490-79-1 Molecular Formula: C18H13N3O3S Molecular Weight (g/mol): 351.38 InChI Key: UWCROCJSYGJGEJ-UHFFFAOYSA-N Synonym: 4,5-Diazafluorene-9-one O-Tosyloxime PubChem CID: 91972099 SMILES: CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3

PubChem CID 91972099
CAS 1655490-79-1
Molecular Weight (g/mol) 351.38
SMILES CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3
Synonym 4,5-Diazafluorene-9-one O-Tosyloxime
InChI Key UWCROCJSYGJGEJ-UHFFFAOYSA-N
Molecular Formula C18H13N3O3S
2

Triammonium 4-Sulfophthalate (contains 3-Sulfophthalate) 65.0+%, TCI America™

CAS: 22411-24-1 Molecular Formula: C8H15N3O7S Molecular Weight (g/mol): 297.28 MDL Number: MFCD00134235 InChI Key: RMPQIFXEQFYSEM-UHFFFAOYSA-N Synonym: 4-Sulfophthalic Acid Triammonium Salt PubChem CID: 122359803 IUPAC Name: 4-sulfobenzene-1,2-dicarboxylic acid triamine SMILES: N.N.N.OC(=O)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O

PubChem CID 122359803
CAS 22411-24-1
Molecular Weight (g/mol) 297.28
MDL Number MFCD00134235
SMILES N.N.N.OC(=O)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O
Synonym 4-Sulfophthalic Acid Triammonium Salt
IUPAC Name 4-sulfobenzene-1,2-dicarboxylic acid triamine
InChI Key RMPQIFXEQFYSEM-UHFFFAOYSA-N
Molecular Formula C8H15N3O7S
3

4-Nitrobenzenesulfonic Acid Hydrate 98.0+%, TCI America™

CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 8740
CAS 138-42-1
Molecular Weight (g/mol) 203.17
MDL Number MFCD09037353
SMILES OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi
IUPAC Name 4-nitrobenzene-1-sulfonic acid
InChI Key SPXOTSHWBDUUMT-UHFFFAOYSA-N
Molecular Formula C6H5NO5S
4

Suplatast Tosylate 98.0+%, TCI America™

CAS: 94055-76-2 Molecular Formula: C23H33NO7S2 Molecular Weight (g/mol): 499.64 MDL Number: MFCD00867604 InChI Key: RYVJQEZJUFRANT-UHFFFAOYNA-N Synonym: suplatast tosilate,suplatast tosylate,suplatast,suplatast tosilate inn,ccris 6596,suplatastum tosilas inn-latin,tosilate de suplatast inn-french,tosilato de suplatast inn-spanish,+--2-4-3-ethoxy-2-hydroxypropoxy phenyl carbamoyl ethyldimethylsulfonium p-tosylate PubChem CID: 71773 IUPAC Name: (2-{[4-(3-ethoxy-2-hydroxypropoxy)phenyl]carbamoyl}ethyl)dimethylsulfanium 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(O)COC1=CC=C(NC(=O)CC[S+](C)C)C=C1

PubChem CID 71773
CAS 94055-76-2
Molecular Weight (g/mol) 499.64
MDL Number MFCD00867604
SMILES CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(O)COC1=CC=C(NC(=O)CC[S+](C)C)C=C1
Synonym suplatast tosilate,suplatast tosylate,suplatast,suplatast tosilate inn,ccris 6596,suplatastum tosilas inn-latin,tosilate de suplatast inn-french,tosilato de suplatast inn-spanish,+--2-4-3-ethoxy-2-hydroxypropoxy phenyl carbamoyl ethyldimethylsulfonium p-tosylate
IUPAC Name (2-{[4-(3-ethoxy-2-hydroxypropoxy)phenyl]carbamoyl}ethyl)dimethylsulfanium 4-methylbenzene-1-sulfonate
InChI Key RYVJQEZJUFRANT-UHFFFAOYNA-N
Molecular Formula C23H33NO7S2
5

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid 95.0+%, TCI America™

CAS: 125662-60-4 Molecular Formula: C7H2F4O5S Molecular Weight (g/mol): 274.142 InChI Key: JNESNWCWZVATQY-UHFFFAOYSA-N PubChem CID: 19807654 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O

PubChem CID 19807654
CAS 125662-60-4
Molecular Weight (g/mol) 274.142
SMILES C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
IUPAC Name 2,3,5,6-tetrafluoro-4-sulfobenzoic acid
InChI Key JNESNWCWZVATQY-UHFFFAOYSA-N
Molecular Formula C7H2F4O5S
6

5-Sulfosalicylic Acid Dihydrate 98.0+%, TCI America™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
7

5-Sulfosalicylic Acid Dihydrate 99.0+%, TCI America™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
8

5-Amino-2-chlorotoluene-4-sulfonic Acid 98.0+%, TCI America™

CAS: 88-53-9 Molecular Formula: C7H8ClNO3S Molecular Weight (g/mol): 221.655 MDL Number: MFCD00043924 InChI Key: VYZCFAPUHSSYCC-UHFFFAOYSA-N Synonym: 4-Chloro-5-methylaniline-2-sulfonic Acid, 4-Chloro-m-toluidine-6-sulfonic Acid, 2-Amino-5-chloro-4-methylbenzenesulfonic Acid PubChem CID: 6936 IUPAC Name: 2-amino-5-chloro-4-methylbenzenesulfonic acid SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N

PubChem CID 6936
CAS 88-53-9
Molecular Weight (g/mol) 221.655
MDL Number MFCD00043924
SMILES CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
Synonym 4-Chloro-5-methylaniline-2-sulfonic Acid, 4-Chloro-m-toluidine-6-sulfonic Acid, 2-Amino-5-chloro-4-methylbenzenesulfonic Acid
IUPAC Name 2-amino-5-chloro-4-methylbenzenesulfonic acid
InChI Key VYZCFAPUHSSYCC-UHFFFAOYSA-N
Molecular Formula C7H8ClNO3S
9

m-Xylene-4-sulfonic Acid Hydrate 98.0+%, TCI America™

CAS: 88-61-9 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.225 MDL Number: MFCD00007483 InChI Key: CHZLVSBMXZSPNN-UHFFFAOYSA-N Synonym: 2,4-Dimethylbenzenesulfonic Acid PubChem CID: 6938 IUPAC Name: 2,4-dimethylbenzenesulfonic acid SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)C

PubChem CID 6938
CAS 88-61-9
Molecular Weight (g/mol) 186.225
MDL Number MFCD00007483
SMILES CC1=CC(=C(C=C1)S(=O)(=O)O)C
Synonym 2,4-Dimethylbenzenesulfonic Acid
IUPAC Name 2,4-dimethylbenzenesulfonic acid
InChI Key CHZLVSBMXZSPNN-UHFFFAOYSA-N
Molecular Formula C8H10O3S
10

Sodium Mesitylenesulfonate 98.0+%, TCI America™

CAS: 6148-75-0 Molecular Formula: C9H11NaO3S Molecular Weight (g/mol): 222.23 MDL Number: MFCD00067712 InChI Key: AOJUNZYQOYSGHT-UHFFFAOYSA-M Synonym: sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae PubChem CID: 23661859 IUPAC Name: sodium 2,4,6-trimethylbenzene-1-sulfonate SMILES: [Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O

PubChem CID 23661859
CAS 6148-75-0
Molecular Weight (g/mol) 222.23
MDL Number MFCD00067712
SMILES [Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O
Synonym sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae
IUPAC Name sodium 2,4,6-trimethylbenzene-1-sulfonate
InChI Key AOJUNZYQOYSGHT-UHFFFAOYSA-M
Molecular Formula C9H11NaO3S
11

Ethyl O-Mesitylsulfonylacetohydroxamate 98.0+%, TCI America™

CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C

PubChem CID 6282444
CAS 38202-27-6
Molecular Weight (g/mol) 285.358
MDL Number MFCD00009244
SMILES CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
Synonym ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate
IUPAC Name ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate
InChI Key KQCBSWBQAXTILK-WYMLVPIESA-N
Molecular Formula C13H19NO4S
12

1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate 95.0+%, TCI America™

CAS: 1352947-63-7 Molecular Formula: C18H28N2O3S2 Molecular Weight (g/mol): 384.553 InChI Key: OVUBPNDERNKKQU-UHFFFAOYSA-M PubChem CID: 66552686 IUPAC Name: 4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfanylhexyl)imidazol-1-ium SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC

PubChem CID 66552686
CAS 1352947-63-7
Molecular Weight (g/mol) 384.553
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC
IUPAC Name 4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfanylhexyl)imidazol-1-ium
InChI Key OVUBPNDERNKKQU-UHFFFAOYSA-M
Molecular Formula C18H28N2O3S2
13

Sodium 2,4-Dinitrobenzenesulfonate Hydrate 98.0+%, TCI America™

CAS: 885-62-1 Molecular Formula: C6H3N2NaO7S Molecular Weight (g/mol): 270.15 MDL Number: MFCD00007471,MFCD10567393 InChI Key: GSBYVRKLPCSLNV-UHFFFAOYSA-M Synonym: sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate PubChem CID: 70700115 IUPAC Name: sodium 2,4-dinitrobenzene-1-sulfonate SMILES: [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O

PubChem CID 70700115
CAS 885-62-1
Molecular Weight (g/mol) 270.15
MDL Number MFCD00007471,MFCD10567393
SMILES [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O
Synonym sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate
IUPAC Name sodium 2,4-dinitrobenzene-1-sulfonate
InChI Key GSBYVRKLPCSLNV-UHFFFAOYSA-M
Molecular Formula C6H3N2NaO7S
14

Monosodium 2-Sulfoterephthalate 98.0+%, TCI America™

CAS: 19089-60-2 Molecular Formula: C8H5NaO7S Molecular Weight (g/mol): 268.171 MDL Number: MFCD00059843 InChI Key: JARIJYUQOKFVAJ-UHFFFAOYSA-M Synonym: 2-Sulfoterephthalic Acid Monosodium Salt PubChem CID: 44630481 IUPAC Name: sodium;4-carboxy-2-sulfobenzoate SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]

PubChem CID 44630481
CAS 19089-60-2
Molecular Weight (g/mol) 268.171
MDL Number MFCD00059843
SMILES C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
Synonym 2-Sulfoterephthalic Acid Monosodium Salt
IUPAC Name sodium;4-carboxy-2-sulfobenzoate
InChI Key JARIJYUQOKFVAJ-UHFFFAOYSA-M
Molecular Formula C8H5NaO7S
15

Glycylglycine Benzyl Ester p-Toluenesulfonate 98.0+%, TCI America™

CAS: 1738-82-5 Molecular Formula: C18H22N2O6S Molecular Weight (g/mol): 394.44 MDL Number: MFCD00050678 InChI Key: RWBJLSORGVEMHA-UHFFFAOYSA-N Synonym: Diglycine Benzyl Ester p-Toluenesulfonate, H-Gly-Gly-OBzl.Tos-OH PubChem CID: 337780 IUPAC Name: 4-methylbenzene-1-sulfonic acid; benzyl 2-(2-aminoacetamido)acetate SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)NCC(=O)OCC1=CC=CC=C1

PubChem CID 337780
CAS 1738-82-5
Molecular Weight (g/mol) 394.44
MDL Number MFCD00050678
SMILES CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)NCC(=O)OCC1=CC=CC=C1
Synonym Diglycine Benzyl Ester p-Toluenesulfonate, H-Gly-Gly-OBzl.Tos-OH
IUPAC Name 4-methylbenzene-1-sulfonic acid; benzyl 2-(2-aminoacetamido)acetate
InChI Key RWBJLSORGVEMHA-UHFFFAOYSA-N
Molecular Formula C18H22N2O6S