SODIUM 2-(NONANOYLOXY)BENZENESULFONATE

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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=C(C=CC=C1)S([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

Molecular Formula	C15H21O5S
Molecular Weight	313.389
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 08:14:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:14:53 GMT 2023`
Record UNII	936T1MP46X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-(NONANOYLOXY)BENZENESULFONATE

Systematic Name

English

NONANOIC ACID, 2-SULFOPHENYL ESTER, SODIUM SALT

Systematic 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 Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

Code System Code Type Description

ECHA (EC/EINECS)

434-360-9

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

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FDA UNII

936T1MP46X

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

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PUBCHEM

23665774

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

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EPA CompTox

DTXSID20891952

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

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CAS

181213-09-2

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

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CAS

91125-43-8

Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023

NON-SPECIFIC SUBSTITUTION