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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11ClO3S
Molecular Weight 234.7
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 4-chlorobenzenesulfonate

SMILES

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

InChI

InChIKey=QSWUXCJBPTUVQG-UHFFFAOYSA-N
InChI=1S/C9H11ClO3S/c1-7(2)13-14(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Methylethyl 4-chlorobenzenesulfonate
Preferred Name English
Isopropyl 4-chlorobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 4-chloro-, 1-methylethyl ester
Systematic Name English
Isopropyl p-chlorobenzenesulfonate
Systematic Name English
Code System Code Type Description
CAS
69564-62-1
Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025
PRIMARY
FDA UNII
SV8AY8HLQ3
Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025
PRIMARY
PUBCHEM
149459
Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025
PRIMARY
NIH
NCATS
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