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.

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1 Octane Sulfonic Acid Sodium Salt, HPLC Ion Pair Agent, Fisher Chemical™

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

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CAS	5324-84-5
Molecular Weight (g/mol)	216.27
MDL Number	MFCD00007544
SMILES	[Na+].CCCCCCCCS([O-])(=O)=O
IUPAC Name	sodium octane-1-sulfonate
InChI Key	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula	C8H17NaO3S

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Sulfanilic Acid Anhydrous (Crystalline/Certified ACS), Fisher Chemical

CAS: 121-57-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00007886 InChI Key: HVBSAKJJOYLTQU-UHFFFAOYSA-N Synonym: sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid PubChem CID: 8479 ChEBI: CHEBI:27500 IUPAC Name: 4-aminobenzenesulfonic acid SMILES: C1=CC(=CC=C1N)S(=O)(=O)O

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PubChem CID	8479
CAS	121-57-3
Molecular Weight (g/mol)	173.186
ChEBI	CHEBI:27500
MDL Number	MFCD00007886
SMILES	C1=CC(=CC=C1N)S(=O)(=O)O
Synonym	sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid
IUPAC Name	4-aminobenzenesulfonic acid
InChI Key	HVBSAKJJOYLTQU-UHFFFAOYSA-N
Molecular Formula	C6H7NO3S

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1-Heptanesulfonic Acid Sodium Salt (HPLC), Fisher Chemical™

CAS: 22767-50-6 Molecular Formula: C7H15NaO3S MDL Number: MFCD00007543 InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M PubChem CID: 23672332

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PubChem CID	23672332
CAS	22767-50-6
MDL Number	MFCD00007543
InChI Key	REFMEZARFCPESH-UHFFFAOYSA-M
Molecular Formula	C7H15NaO3S

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1-Hexanesulfonic Acid Sodium Salt (HPLC), Fisher Chemical™

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O

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PubChem CID	23677630
CAS	2832-45-3
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00007542
SMILES	[Na+].CCCCCCS([O-])(=O)=O
Synonym	sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
IUPAC Name	sodium hexane-1-sulfonate
InChI Key	QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula	C6H13NaO3S

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1-Pentanesulfonic Acid Sodium Salt, Anhydrous (HPLC), Fisher Chemical

CAS: 22767-49-3 Molecular Formula: C5H11NaO3S Molecular Weight (g/mol): 174.19 MDL Number: MFCD00007541,MFCD00149548 InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M Synonym: sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt PubChem CID: 23664617 IUPAC Name: sodium pentane-1-sulfonate SMILES: [Na+].CCCCCS([O-])(=O)=O

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PubChem CID	23664617
CAS	22767-49-3
Molecular Weight (g/mol)	174.19
MDL Number	MFCD00007541,MFCD00149548
SMILES	[Na+].CCCCCS([O-])(=O)=O
Synonym	sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt
IUPAC Name	sodium pentane-1-sulfonate
InChI Key	ROBLTDOHDSGGDT-UHFFFAOYSA-M
Molecular Formula	C5H11NaO3S

Sodium 2-bromoethanesulfonate, 98%

CAS: 4263-52-9 Molecular Formula: C2H4BrNaO3S Molecular Weight (g/mol): 211.005 MDL Number: MFCD00007530 InChI Key: HNFOAHXBHLWKNF-UHFFFAOYSA-M Synonym: sodium 2-bromoethanesulfonate,2-bromoethanesulfonic acid sodium salt,sodium 2-bromoethanesulphonate,2-bromoethanesulfonic acid, sodium salt,sodium bromoethylsulfonate,ethanesulfonic acid, 2-bromo-, sodium salt,ethanesulfonic acid, 2-bromo-, sodium salt 1:1,sodium 2-bromoethane sulfonate,2-bromoethanesulfonic acid sodium,natrium-2-bromethansulfonat PubChem CID: 23666797 IUPAC Name: sodium;2-bromoethanesulfonate SMILES: C(CBr)S(=O)(=O)[O-].[Na+]

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PubChem CID	23666797
CAS	4263-52-9
Molecular Weight (g/mol)	211.005
MDL Number	MFCD00007530
SMILES	C(CBr)S(=O)(=O)[O-].[Na+]
Synonym	sodium 2-bromoethanesulfonate,2-bromoethanesulfonic acid sodium salt,sodium 2-bromoethanesulphonate,2-bromoethanesulfonic acid, sodium salt,sodium bromoethylsulfonate,ethanesulfonic acid, 2-bromo-, sodium salt,ethanesulfonic acid, 2-bromo-, sodium salt 1:1,sodium 2-bromoethane sulfonate,2-bromoethanesulfonic acid sodium,natrium-2-bromethansulfonat
IUPAC Name	sodium;2-bromoethanesulfonate
InChI Key	HNFOAHXBHLWKNF-UHFFFAOYSA-M
Molecular Formula	C2H4BrNaO3S

Isethionic acid sodium salt, 98%

CAS: 1562-00-1 Molecular Formula: C2H5NaO4S Molecular Weight (g/mol): 148.108 MDL Number: MFCD00007534 InChI Key: LADXKQRVAFSPTR-UHFFFAOYSA-M Synonym: sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate PubChem CID: 517063 IUPAC Name: sodium;2-hydroxyethanesulfonate SMILES: C(CS(=O)(=O)[O-])O.[Na+]

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PubChem CID	517063
CAS	1562-00-1
Molecular Weight (g/mol)	148.108
MDL Number	MFCD00007534
SMILES	C(CS(=O)(=O)[O-])O.[Na+]
Synonym	sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate
IUPAC Name	sodium;2-hydroxyethanesulfonate
InChI Key	LADXKQRVAFSPTR-UHFFFAOYSA-M
Molecular Formula	C2H5NaO4S

Tetra-n-butylammonium trifluoromethanesulfonate, 99%

CAS: 35895-70-6 Molecular Formula: C18H36F3NO2 Molecular Weight (g/mol): 355.49 MDL Number: MFCD00042585 InChI Key: WTEXQPWIUJQYJQ-UHFFFAOYSA-M Synonym: tetrabutylammonium triflate,tetrabutylammonium trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulfonate,tetrabutylammonium ion triflate,trifluoromethanesulfonic acid tetrabutylammonium salt,acmc-1aglb,tetrakis but-1-yl ammonium triflate,tetrabutylazanium; trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulphonate PubChem CID: 2733306 IUPAC Name: tetrabutylazanium;trifluoromethanesulfonate SMILES: [O-]C(=O)C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC

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Specifications

PubChem CID	2733306
CAS	35895-70-6
Molecular Weight (g/mol)	355.49
MDL Number	MFCD00042585
SMILES	[O-]C(=O)C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
Synonym	tetrabutylammonium triflate,tetrabutylammonium trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulfonate,tetrabutylammonium ion triflate,trifluoromethanesulfonic acid tetrabutylammonium salt,acmc-1aglb,tetrakis but-1-yl ammonium triflate,tetrabutylazanium; trifluoromethanesulfonate,tetra-n-butylammonium trifluoromethanesulphonate
IUPAC Name	tetrabutylazanium;trifluoromethanesulfonate
InChI Key	WTEXQPWIUJQYJQ-UHFFFAOYSA-M
Molecular Formula	C18H36F3NO2

2-Mercaptoethane sulfonic acid sodium salt, 96%

CAS: 19767-45-4 Molecular Formula: C2H5NaO3S2 Molecular Weight (g/mol): 164.169 MDL Number: MFCD00007535 InChI Key: XOGTZOOQQBDUSI-UHFFFAOYSA-M Synonym: mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid PubChem CID: 23662354 IUPAC Name: sodium;2-sulfanylethanesulfonate SMILES: C(CS(=O)(=O)[O-])S.[Na+]

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PubChem CID	23662354
CAS	19767-45-4
Molecular Weight (g/mol)	164.169
MDL Number	MFCD00007535
SMILES	C(CS(=O)(=O)[O-])S.[Na+]
Synonym	mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid
IUPAC Name	sodium;2-sulfanylethanesulfonate
InChI Key	XOGTZOOQQBDUSI-UHFFFAOYSA-M
Molecular Formula	C2H5NaO3S2

Potassium methanesulfonate, 99%

CAS: 2386-56-3 Molecular Formula: CH3KO3S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00070544 InChI Key: XWIJIXWOZCRYEL-UHFFFAOYSA-M Synonym: potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1 PubChem CID: 23666501 IUPAC Name: potassium;methanesulfonate SMILES: CS(=O)(=O)[O-].[K+]

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PubChem CID	23666501
CAS	2386-56-3
Molecular Weight (g/mol)	134.19
MDL Number	MFCD00070544
SMILES	CS(=O)(=O)[O-].[K+]
Synonym	potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1
IUPAC Name	potassium;methanesulfonate
InChI Key	XWIJIXWOZCRYEL-UHFFFAOYSA-M
Molecular Formula	CH3KO3S

N,N-Dimethylmethanesulfonamide, 98+%

CAS: 918-05-8 Molecular Formula: C3H9NO2S Molecular Weight (g/mol): 123.17 MDL Number: MFCD00014740 InChI Key: WCFDSGHAIGTEKL-UHFFFAOYSA-N Synonym: n,n-dimethyl methanesulfonamide,methanesulfonamide, n,n-dimethyl,nn-dimethylmethanesulfonamide,n,n-dimethylmethanesulphonamide,n,n-dimethyl-methanesulfonamide,timtec-bb sbb007962,dimethyl methylsulfonyl amine,methanesulfonamide,n-dimethyl,wcfdsghaigtekl-uhfffaoysa PubChem CID: 70191 IUPAC Name: N,N-dimethylmethanesulfonamide SMILES: CN(C)S(=O)(=O)C

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PubChem CID	70191
CAS	918-05-8
Molecular Weight (g/mol)	123.17
MDL Number	MFCD00014740
SMILES	CN(C)S(=O)(=O)C
Synonym	n,n-dimethyl methanesulfonamide,methanesulfonamide, n,n-dimethyl,nn-dimethylmethanesulfonamide,n,n-dimethylmethanesulphonamide,n,n-dimethyl-methanesulfonamide,timtec-bb sbb007962,dimethyl methylsulfonyl amine,methanesulfonamide,n-dimethyl,wcfdsghaigtekl-uhfffaoysa
IUPAC Name	N,N-dimethylmethanesulfonamide
InChI Key	WCFDSGHAIGTEKL-UHFFFAOYSA-N
Molecular Formula	C3H9NO2S

Taurine, ≥98.5%, Molecular Biology Grade, Ultrapure

CAS: 107-35-7 Molecular Formula: C2H7NO3S Molecular Weight (g/mol): 125.14 MDL Number: MFCD00008197 InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N Synonym: taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid PubChem CID: 1123 ChEBI: CHEBI:15891 IUPAC Name: 2-aminoethanesulfonic acid SMILES: NCCS(O)(=O)=O

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PubChem CID	1123
CAS	107-35-7
Molecular Weight (g/mol)	125.14
ChEBI	CHEBI:15891
MDL Number	MFCD00008197
SMILES	NCCS(O)(=O)=O
Synonym	taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid
IUPAC Name	2-aminoethanesulfonic acid
InChI Key	XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula	C2H7NO3S

2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, 98%

CAS: 30931-67-0 Molecular Formula: C18H24N6O6S4 Molecular Weight (g/mol): 548.67 MDL Number: MFCD00010404,MFCD00010404 InChI Key: OHDRQQURAXLVGJ-AXMZSLBLSA-N Synonym: ammonium 2,2'-hydrazine-1,2-diylidene bis 3-ethyl-2,3-dihydrobenzo d thiazole-6-sulfonate PubChem CID: 91884754 IUPAC Name: diazanium;3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate SMILES: [NH4+].[NH4+].CCN1\C(SC2=CC(=CC=C12)S([O-])(=O)=O)=N\N=C1/SC2=CC(=CC=C2N1CC)S([O-])(=O)=O

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PubChem CID	91884754
CAS	30931-67-0
Molecular Weight (g/mol)	548.67
MDL Number	MFCD00010404,MFCD00010404
SMILES	[NH4+].[NH4+].CCN1\C(SC2=CC(=CC=C12)S([O-])(=O)=O)=N\N=C1/SC2=CC(=CC=C2N1CC)S([O-])(=O)=O
Synonym	ammonium 2,2'-hydrazine-1,2-diylidene bis 3-ethyl-2,3-dihydrobenzo d thiazole-6-sulfonate
IUPAC Name	diazanium;3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate
InChI Key	OHDRQQURAXLVGJ-AXMZSLBLSA-N
Molecular Formula	C18H24N6O6S4

1,3-Propanediol di-p-toluenesulfonate, 98%, Thermo Scientific Chemicals

CAS: 5469-66-9 Molecular Formula: C17H20O6S2 Molecular Weight (g/mol): 384.46 MDL Number: MFCD00013392 InChI Key: ODVREDGIWSDQFD-UHFFFAOYSA-N Synonym: 1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate PubChem CID: 230370 IUPAC Name: 3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1

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Specifications

PubChem CID	230370
CAS	5469-66-9
Molecular Weight (g/mol)	384.46
MDL Number	MFCD00013392
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1
Synonym	1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate
IUPAC Name	3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
InChI Key	ODVREDGIWSDQFD-UHFFFAOYSA-N
Molecular Formula	C17H20O6S2

Sodium diphenylamine-4-sulfonate, 98%

CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: sodium;4-anilinobenzenesulfonate SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	517002
CAS	6152-67-6
Molecular Weight (g/mol)	272.27
MDL Number	MFCD00036468
SMILES	[Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
Synonym	sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt
IUPAC Name	sodium;4-anilinobenzenesulfonate
InChI Key	VMVSDVIYIMNZBS-UHFFFAOYSA-N
Molecular Formula	C12H11NNaO3S

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