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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 Propyl benzenesulfonate

SMILES

CCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=OCNPXKLQSGAGKT-UHFFFAOYSA-N
InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H12O3S
Molecular Weight 200.255
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 Tue Apr 01 18:26:55 GMT 2025
Edited
by admin
on Tue Apr 01 18:26:55 GMT 2025
Record UNII
U9DCN8VQ7F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-3216
Preferred Name English
Propyl benzenesulfonate
Systematic Name English
Propyl benzenesulphonate
Systematic Name English
Benzenesulfonic acid, propyl ester
Systematic Name English
Code System Code Type Description
NSC
3216
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
PUBCHEM
220447
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
FDA UNII
U9DCN8VQ7F
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-278-8
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID7058834
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
CAS
80-42-2
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY