U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O5S
Molecular Weight 202.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-SULFOBENZOIC ACID

SMILES

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

InChI

InChIKey=HWAQOZGATRIYQG-UHFFFAOYSA-N
InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-SULFOBENZOIC ACID
Systematic Name English
P-CARBOXYBENZENESULFONIC ACID
Systematic Name English
P-SULFOBENZOIC ACID
Systematic Name English
PROBENECID IMPURITY A [EP IMPURITY]
Common Name English
BENZOIC ACID, 4-SULFO-
Systematic Name English
Code System Code Type Description
CAS
636-78-2
Created by admin on Fri Dec 15 19:07:12 GMT 2023 , Edited by admin on Fri Dec 15 19:07:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID90979817
Created by admin on Fri Dec 15 19:07:12 GMT 2023 , Edited by admin on Fri Dec 15 19:07:12 GMT 2023
PRIMARY
FDA UNII
CTD9Y82JZH
Created by admin on Fri Dec 15 19:07:12 GMT 2023 , Edited by admin on Fri Dec 15 19:07:12 GMT 2023
PRIMARY
PUBCHEM
69469
Created by admin on Fri Dec 15 19:07:12 GMT 2023 , Edited by admin on Fri Dec 15 19:07:12 GMT 2023
PRIMARY
CHEBI
30789
Created by admin on Fri Dec 15 19:07:12 GMT 2023 , Edited by admin on Fri Dec 15 19:07:12 GMT 2023
PRIMARY