Butyl benzenesulfonate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14O3S
Molecular Weight	214.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl benzenesulfonate

Structure Search

SMILES

CCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=NIKBCKTWWPVAIC-UHFFFAOYSA-N

InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H14O3S
Molecular Weight	214.281
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 `Mon Mar 31 22:06:32 GMT 2025` Edited by `admin` on `Mon Mar 31 22:06:32 GMT 2025`
Record UNII	Y9VFZ9PM33
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl benzenesulfonate

Systematic Name

English

NSC-3215

Preferred Name

English

Benzenesulfonic acid, n-butyl ester

Systematic Name

English

Benzenesulfonic acid, butyl ester

Systematic Name

English

Code System Code Type Description

CAS

80-44-4

Created by admin on Mon Mar 31 22:06:32 GMT 2025 , Edited by admin on Mon Mar 31 22:06:32 GMT 2025

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PUBCHEM

6642

Created by admin on Mon Mar 31 22:06:32 GMT 2025 , Edited by admin on Mon Mar 31 22:06:32 GMT 2025

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EPA CompTox

DTXSID1075357

Created by admin on Mon Mar 31 22:06:32 GMT 2025 , Edited by admin on Mon Mar 31 22:06:32 GMT 2025

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NSC

3215

Created by admin on Mon Mar 31 22:06:32 GMT 2025 , Edited by admin on Mon Mar 31 22:06:32 GMT 2025

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FDA UNII

Y9VFZ9PM33

Created by admin on Mon Mar 31 22:06:32 GMT 2025 , Edited by admin on Mon Mar 31 22:06:32 GMT 2025

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