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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

Molecular Formula C7H6O5S
Molecular Weight 202.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:32:45 GMT 2025
Edited
by admin
on Mon Mar 31 19:32:45 GMT 2025
Record UNII
CTD9Y82JZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROBENECID IMPURITY A [EP IMPURITY]
Preferred Name English
4-SULFOBENZOIC ACID
Systematic Name English
P-CARBOXYBENZENESULFONIC ACID
Systematic Name English
P-SULFOBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-SULFO-
Systematic Name English
Code System Code Type Description
CAS
636-78-2
Created by admin on Mon Mar 31 19:32:45 GMT 2025 , Edited by admin on Mon Mar 31 19:32:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID90979817
Created by admin on Mon Mar 31 19:32:45 GMT 2025 , Edited by admin on Mon Mar 31 19:32:45 GMT 2025
PRIMARY
FDA UNII
CTD9Y82JZH
Created by admin on Mon Mar 31 19:32:45 GMT 2025 , Edited by admin on Mon Mar 31 19:32:45 GMT 2025
PRIMARY
PUBCHEM
69469
Created by admin on Mon Mar 31 19:32:45 GMT 2025 , Edited by admin on Mon Mar 31 19:32:45 GMT 2025
PRIMARY
CHEBI
30789
Created by admin on Mon Mar 31 19:32:45 GMT 2025 , Edited by admin on Mon Mar 31 19:32:45 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP