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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O4S
Molecular Weight 262.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(PHENYLSULFONYL)BENZOIC ACID

SMILES

OC(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChIKey=MAVYXMCSVGUDEZ-UHFFFAOYSA-N
InChI=1S/C13H10O4S/c14-13(15)10-5-4-8-12(9-10)18(16,17)11-6-2-1-3-7-11/h1-9H,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H10O4S
Molecular Weight 262.281
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 Sat Dec 16 18:20:41 GMT 2023
Edited
by admin
on Sat Dec 16 18:20:41 GMT 2023
Record UNII
6F8EVQ2464
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(PHENYLSULFONYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(PHENYLSULFONYL)-
Systematic Name English
NSC-43055
Code English
M-PHENYLSULFONYLBENZOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
238599
Created by admin on Sat Dec 16 18:20:41 GMT 2023 , Edited by admin on Sat Dec 16 18:20:41 GMT 2023
PRIMARY
CAS
2548-44-9
Created by admin on Sat Dec 16 18:20:41 GMT 2023 , Edited by admin on Sat Dec 16 18:20:41 GMT 2023
PRIMARY
FDA UNII
6F8EVQ2464
Created by admin on Sat Dec 16 18:20:41 GMT 2023 , Edited by admin on Sat Dec 16 18:20:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID70180161
Created by admin on Sat Dec 16 18:20:41 GMT 2023 , Edited by admin on Sat Dec 16 18:20:41 GMT 2023
PRIMARY
NSC
43055
Created by admin on Sat Dec 16 18:20:41 GMT 2023 , Edited by admin on Sat Dec 16 18:20:41 GMT 2023
PRIMARY