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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O3S
Molecular Weight 200.255
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl benzenesulfonate

SMILES

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

InChI

InChIKey=YQZZXXKFKTWDPY-UHFFFAOYSA-N
InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Isopropyl benzenesulfonate
Common Name English
ISOPROPYL BENZENE SULFONATE
Preferred Name English
BENZENESULFONIC ACID, 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
FF97SL9332
Created by admin on Mon Mar 31 22:09:22 GMT 2025 , Edited by admin on Mon Mar 31 22:09:22 GMT 2025
PRIMARY
CAS
6214-18-2
Created by admin on Mon Mar 31 22:09:22 GMT 2025 , Edited by admin on Mon Mar 31 22:09:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID901311605
Created by admin on Mon Mar 31 22:09:22 GMT 2025 , Edited by admin on Mon Mar 31 22:09:22 GMT 2025
PRIMARY
PUBCHEM
12441430
Created by admin on Mon Mar 31 22:09:22 GMT 2025 , Edited by admin on Mon Mar 31 22:09:22 GMT 2025
PRIMARY