Propyl benzenesulfonate

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NCATS

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

Structure Search

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 `Sat Dec 16 12:08:47 GMT 2023` Edited by `admin` on `Sat Dec 16 12:08:47 GMT 2023`
Record UNII	U9DCN8VQ7F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Propyl benzenesulfonate

Systematic Name

English

Propyl benzenesulphonate

Systematic Name

English

NSC-3216

Code

English

Benzenesulfonic acid, propyl ester

Systematic Name

English

Code System Code Type Description

NSC

3216

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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PUBCHEM

220447

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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FDA UNII

U9DCN8VQ7F

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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ECHA (EC/EINECS)

201-278-8

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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EPA CompTox

DTXSID7058834

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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CAS

80-42-2

Created by admin on Sat Dec 16 12:08:47 GMT 2023 , Edited by admin on Sat Dec 16 12:08:47 GMT 2023

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