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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4S
Molecular Weight 200.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Methylsulfonyl)benzoic acid

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(O)=O

InChI

InChIKey=AJBWNNKDUMXZLM-UHFFFAOYSA-N
InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H8O4S
Molecular Weight 200.212
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 Tue Apr 01 17:42:34 GMT 2025
Edited
by admin
on Tue Apr 01 17:42:34 GMT 2025
Record UNII
JH6TZZ7RC7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
p-(Methylsulfonyl)benzoic acid
Preferred Name English
4-(Methylsulfonyl)benzoic acid
Systematic Name English
p-(Methylsulphonyl)benzoic acid
Systematic Name English
4-(Methylsulphonyl)benzoic acid
Systematic Name English
NSC-11336
Code English
Benzoic acid, 4-(methylsulphonyl)-
Systematic Name English
Benzoic acid, 4-(methylsulfonyl)-
Systematic Name English
Code System Code Type Description
NSC
11336
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY
PUBCHEM
77670
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-756-5
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY
FDA UNII
JH6TZZ7RC7
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID90193531
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY
CAS
4052-30-6
Created by admin on Tue Apr 01 17:42:34 GMT 2025 , Edited by admin on Tue Apr 01 17:42:34 GMT 2025
PRIMARY