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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H7ClO4S
Molecular Weight 222.646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid

SMILES

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

InChI

InChIKey=QZEPLRHZZAKWCP-UHFFFAOYSA-N
InChI=1S/C7H7ClO4S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3,9H,1H3,(H,10,11,12)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-Chloro-2-hydroxy-4-methylbenzenesulfonic acid
Systematic Name English
Benzenesulphonic acid, 5-chloro-2-hydroxy-4-methyl-
Systematic Name English
5-Chloro-2-hydroxy-4-methylbenzenesulphonic acid
Systematic Name English
Benzenesulfonic acid, 5-chloro-2-hydroxy-4-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
W9HXK8AVM2
Created by admin on Sat Dec 16 18:57:29 GMT 2023 , Edited by admin on Sat Dec 16 18:57:29 GMT 2023
PRIMARY
PUBCHEM
11042323
Created by admin on Sat Dec 16 18:57:29 GMT 2023 , Edited by admin on Sat Dec 16 18:57:29 GMT 2023
PRIMARY
CAS
40677-43-8
Created by admin on Sat Dec 16 18:57:29 GMT 2023 , Edited by admin on Sat Dec 16 18:57:29 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966