DOCUSATE ALUMINUM

Details

Stereochemistry	MIXED
Molecular Formula	3C20H37O7S.Al
Molecular Weight	1291.687
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Al+3].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O

InChI

InChIKey=XHHAPTGXORWTEA-UHFFFAOYSA-K

InChI=1S/3C20H38O7S.Al/c3*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h3*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;;+3/p-3

HIDE SMILES / InChI

Molecular Formula	Al
Molecular Weight	26.9815
Charge	3
Count

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

Molecular Formula	C20H37O7S
Molecular Weight	421.569
Charge	-1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:01 UTC 2023` Edited by `admin` on `Fri Dec 15 15:17:01 UTC 2023`
Record UNII	2P2XBJ508X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOCUSATE ALUMINUM

Common Name

English

ALUMINIUM DIOCTYL SULFOSUCCINATE

Systematic Name

English

ALUMINUM DIOCTYLSULFOSUCCINATE

Common Name

English

ALUMINUM, TRIS(1,4-BIS(2-ETHYLHEXYL) (SULFO-.KAPPA.O)BUTANEDIOATO-.KAPPA.O1')

Common Name

English

Code System Code Type Description

PUBCHEM

20383904

Created by admin on Fri Dec 15 15:17:01 UTC 2023 , Edited by admin on Fri Dec 15 15:17:01 UTC 2023

PRIMARY

CAS

15968-85-1

Created by admin on Fri Dec 15 15:17:01 UTC 2023 , Edited by admin on Fri Dec 15 15:17:01 UTC 2023

PRIMARY

FDA UNII

2P2XBJ508X

Created by admin on Fri Dec 15 15:17:01 UTC 2023 , Edited by admin on Fri Dec 15 15:17:01 UTC 2023

PRIMARY

Related Record Type Details


					M7P27195AG

DOCUSATE

ACTIVE MOIETY