SODIUM 2-(NONANOYLOXY)BENZENESULFONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H21O5S.Na
Molecular Weight	336.379
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-(NONANOYLOXY)BENZENESULFONATE

Structure Search

SMILES

[Na+].CCCCCCCCC(=O)OC1=CC=CC=C1S([O-])(=O)=O

InChI

InChIKey=QSKQNALVHFTOQX-UHFFFAOYSA-M

InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-12-15(16)20-13-10-8-9-11-14(13)21(17,18)19;/h8-11H,2-7,12H2,1H3,(H,17,18,19);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SODIUM 2-(NONANOYLOXY)BENZENESULFONATE

Systematic Name

English

NONANOIC ACID, 2-SULFOPHENYL ESTER, SODIUM SALT

Preferred Name

English

NONANOIC ACID, 2-SULFOPHENYL ESTER, SODIUM SALT (1:1)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

89053

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

434-360-9

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

PRIMARY

FDA UNII

936T1MP46X

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

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PUBCHEM

23665774

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID20891952

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

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CAS

181213-09-2

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

PRIMARY

CAS

91125-43-8

Created by admin on Mon Mar 31 21:57:26 GMT 2025 , Edited by admin on Mon Mar 31 21:57:26 GMT 2025

NON-SPECIFIC SUBSTITUTION

SUBSTANCE RECORD


					936T1MP46X

SODIUM 2-(NONANOYLOXY)BENZENESULFONATE