SODIUM 2-BUTYLOCTYL SULPHATE

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Details

Stereochemistry	RACEMIC
Molecular Formula	C12H25O4S.Na
Molecular Weight	288.379
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-BUTYLOCTYL SULPHATE

Structure Search

SMILES

[Na+].CCCCCCC(CCCC)COS([O-])(=O)=O

InChI

InChIKey=QHVJMQSXCDOHMT-UHFFFAOYSA-M

InChI=1S/C12H26O4S.Na/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15;/h12H,3-11H2,1-2H3,(H,13,14,15);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C12H25O4S
Molecular Weight	265.39
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:26:52 GMT 2023` Edited by `admin` on `Sat Dec 16 10:26:52 GMT 2023`
Record UNII	TS6E6BVN59
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-BUTYLOCTYL SULPHATE

Systematic Name

English

SODIUM 2-BUTYL-1-OCTYL SULFATE

Systematic Name

English

SODIUM 2-BUTYLOCTYL SULFATE

Systematic Name

English

Code System Code Type Description

FDA UNII

TS6E6BVN59

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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CHEBI

155875

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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PUBCHEM

23679910

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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CAS

94200-74-5

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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ECHA (EC/EINECS)

303-553-9

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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EPA CompTox

DTXSID90916166

Created by admin on Sat Dec 16 10:26:53 GMT 2023 , Edited by admin on Sat Dec 16 10:26:53 GMT 2023

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