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Details

Stereochemistry ACHIRAL
Molecular Formula C14H8Cl2O5S
Molecular Weight 359.181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid

SMILES

OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(Cl)C=C2)S(Cl)(=O)=O

InChI

InChIKey=PYSORILUZXWKON-UHFFFAOYSA-N
InChI=1S/C14H8Cl2O5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H8Cl2O5S
Molecular Weight 359.181
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 Wed Apr 02 18:49:11 GMT 2025
Edited
by admin
on Wed Apr 02 18:49:11 GMT 2025
Record UNII
UX75SBZ2JQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid
Systematic Name English
Benzoic acid, 2-[4-chloro-3-(chlorosulfonyl)benzoyl]-
Preferred Name English
Code System Code Type Description
PUBCHEM
3017868
Created by admin on Wed Apr 02 18:49:11 GMT 2025 , Edited by admin on Wed Apr 02 18:49:11 GMT 2025
PRIMARY
CAS
68592-12-1
Created by admin on Wed Apr 02 18:49:11 GMT 2025 , Edited by admin on Wed Apr 02 18:49:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID20988270
Created by admin on Wed Apr 02 18:49:11 GMT 2025 , Edited by admin on Wed Apr 02 18:49:11 GMT 2025
PRIMARY
FDA UNII
UX75SBZ2JQ
Created by admin on Wed Apr 02 18:49:11 GMT 2025 , Edited by admin on Wed Apr 02 18:49:11 GMT 2025
PRIMARY