SODIUM PALMITOYL ISETHIONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H35O5S.Na
Molecular Weight	386.522
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM PALMITOYL ISETHIONATE

Structure Search

SMILES

[Na+].CCCCCCCCCCCCCCCC(=O)OCCS([O-])(=O)=O

InChI

InChIKey=KWFZLOFTBBTQIE-UHFFFAOYSA-M

InChI=1S/C18H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)23-16-17-24(20,21)22;/h2-17H2,1H3,(H,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C18H35O5S
Molecular Weight	363.532
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 `Fri Dec 15 19:02:22 GMT 2023` Edited by `admin` on `Fri Dec 15 19:02:22 GMT 2023`
Record UNII	O4087ZSO8U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM PALMITOYL ISETHIONATE

Systematic Name

English

HEXADECANOIC ACID, 2-SULFOETHYL ESTER, SODIUM SALT

Common Name

English

HEXADECANOIC ACID, 2-SULFOETHYL ESTER, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID4042040

Created by admin on Fri Dec 15 19:02:22 GMT 2023 , Edited by admin on Fri Dec 15 19:02:22 GMT 2023

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CAS

36915-65-8

Created by admin on Fri Dec 15 19:02:22 GMT 2023 , Edited by admin on Fri Dec 15 19:02:22 GMT 2023

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ECHA (EC/EINECS)

253-273-5

Created by admin on Fri Dec 15 19:02:22 GMT 2023 , Edited by admin on Fri Dec 15 19:02:22 GMT 2023

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FDA UNII

O4087ZSO8U

Created by admin on Fri Dec 15 19:02:22 GMT 2023 , Edited by admin on Fri Dec 15 19:02:22 GMT 2023

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PUBCHEM

23688965

Created by admin on Fri Dec 15 19:02:22 GMT 2023 , Edited by admin on Fri Dec 15 19:02:22 GMT 2023

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Related Record Type Details


					Z6X7564WJ3

PALMITOYL ISETHIONIC ACID

PARENT -> SALT/SOLVATE

Amount: