CALCIUM DIDECYL SULFOSUCCINATE

Details

Stereochemistry	RACEMIC
Molecular Formula	2C24H45O7S.Ca
Molecular Weight	995.428
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM DIDECYL SULFOSUCCINATE

Structure Search

SMILES

[Ca++].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S([O-])(=O)=O.CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S([O-])(=O)=O

InChI

InChIKey=ULHRXIGKWVVDKR-UHFFFAOYSA-L

InChI=1S/2C24H46O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h2*22H,3-21H2,1-2H3,(H,27,28,29);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C24H45O7S
Molecular Weight	477.675
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 09:08:07 GMT 2023` Edited by `admin` on `Sat Dec 16 09:08:07 GMT 2023`
Record UNII	343ES98647
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM DIDECYL SULFOSUCCINATE

Systematic Name

English

BUTANEDIOIC ACID, 2-SULFO-, 1,4-DIDECYL ESTER, CALCIUM SALT (2:1)

Systematic Name

English

SUCCINIC ACID, SULFO-, 1,4-DIDECYL ESTER, CALCIUM SALT

Systematic Name

English

BUTANEDIOIC ACID, SULFO-, 1,4-DIDECYL ESTER, CALCIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

343ES98647