Sodium 1-propyl 9-sulfonatooctadecanoate

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H41O5S.Na
Molecular Weight	428.602
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 1-propyl 9-sulfonatooctadecanoate

Structure Search

SMILES

[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCC)S([O-])(=O)=O

InChI

InChIKey=ADSZGMHJUZRRGR-UHFFFAOYSA-M

InChI=1S/C21H42O5S.Na/c1-3-5-6-7-8-10-13-16-20(27(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C21H41O5S
Molecular Weight	405.612
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 `Wed Apr 02 20:04:24 GMT 2025` Edited by `admin` on `Wed Apr 02 20:04:24 GMT 2025`
Record UNII	X93KL4Q4KW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 1-propyl 9-sulfonatooctadecanoate

Systematic Name

English

Octadecanoic acid, 9-sulfo-, 1-propyl ester, sodium salt (1:1)

Preferred Name

English

Sodium 1-propyl 9(or 10)-sulphonatooctadecanoate

Systematic Name

English

Octadecanoic acid,9(or 10)-sulfo-,1-propyl ester, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

23668651

Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025

PRIMARY

FDA UNII

X93KL4Q4KW

Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025

PRIMARY

CAS

68425-62-7

Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025

NON-SPECIFIC SUBSTITUTION

CAS

1135341-24-0

Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025

PRIMARY