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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO5S
Molecular Weight 217.199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-2-SULFOBENZOIC ACID

SMILES

NC1=CC(=C(C=C1)C(O)=O)S(O)(=O)=O

InChI

InChIKey=YPNUYFJLBFZDTE-UHFFFAOYSA-N
InChI=1S/C7H7NO5S/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13/h1-3H,8H2,(H,9,10)(H,11,12,13)

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
4-AMINO-2-SULFOBENZOIC ACID [MI]
Preferred Name English
4-AMINO-2-SULFOBENZOIC ACID
MI  
Systematic Name English
BENZOIC ACID, 4-AMINO-2-SULFO-
Systematic Name English
P-AMINO-O-SULFOBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
13006898
Created by admin on Mon Mar 31 22:43:40 GMT 2025 , Edited by admin on Mon Mar 31 22:43:40 GMT 2025
PRIMARY
CAS
527-76-4
Created by admin on Mon Mar 31 22:43:40 GMT 2025 , Edited by admin on Mon Mar 31 22:43:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID00514879
Created by admin on Mon Mar 31 22:43:40 GMT 2025 , Edited by admin on Mon Mar 31 22:43:40 GMT 2025
PRIMARY
FDA UNII
0TET501N3W
Created by admin on Mon Mar 31 22:43:40 GMT 2025 , Edited by admin on Mon Mar 31 22:43:40 GMT 2025
PRIMARY
MERCK INDEX
m558
Created by admin on Mon Mar 31 22:43:40 GMT 2025 , Edited by admin on Mon Mar 31 22:43:40 GMT 2025
PRIMARY Merck Index