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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7ClO3S
Molecular Weight 206.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-chlorobenzenesulfonate

SMILES

COS(=O)(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=VQFKYAZZFFNYQV-UHFFFAOYSA-N
InChI=1S/C7H7ClO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzenesulfonic acid, 4-chloro-, methyl ester
Preferred Name English
Methyl 4-chlorobenzenesulfonate
Systematic Name English
Methyl p-chlorobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, p-chloro-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
FWA6JSA9N8
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
CAS
15481-45-5
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
PUBCHEM
167290
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID70165731
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
NIH
NCATS
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