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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6Cl2O3S
Molecular Weight 241.092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-Dichloro-4-methylbenzenesulfonic acid

SMILES

CC1=CC(Cl)=C(C=C1Cl)S(O)(=O)=O

InChI

InChIKey=SHIXSMOZIHZFTH-UHFFFAOYSA-N
InChI=1S/C7H6Cl2O3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula C7H6Cl2O3S
Molecular Weight 241.092
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 12:53:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:53:57 GMT 2023
Record UNII
7T967BTU6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-Dichloro-4-methylbenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 2,5-dichloro-4-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
20771432
Created by admin on Sat Dec 16 12:53:57 GMT 2023 , Edited by admin on Sat Dec 16 12:53:57 GMT 2023
PRIMARY
FDA UNII
7T967BTU6Q
Created by admin on Sat Dec 16 12:53:57 GMT 2023 , Edited by admin on Sat Dec 16 12:53:57 GMT 2023
PRIMARY
CAS
96923-21-6
Created by admin on Sat Dec 16 12:53:57 GMT 2023 , Edited by admin on Sat Dec 16 12:53:57 GMT 2023
PRIMARY