Sodium (Z)-5-methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H40NO5S.Na
Molecular Weight	489.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Sodium (Z)-5-methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonate

Structure Search

SMILES

[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NC1=C(C=C(OC)C=C1)S([O-])(=O)=O

InChI

InChIKey=YXCYPUZLXBBLLT-GMFCBQQYSA-M

InChI=1S/C25H41NO5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-23-20-19-22(31-2)21-24(23)32(28,29)30;/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,26,27)(H,28,29,30);/q;+1/p-1/b11-10-;

HIDE SMILES / InChI

Molecular Formula	C25H40NO5S
Molecular Weight	466.654
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:05:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:05:11 GMT 2025`
Record UNII	A8GHR6BQU7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 5-methoxy-2-[[(9Z)-1-oxo-9-octadecenyl]amino]-, sodium salt

Preferred Name

English

Sodium (Z)-5-methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonate

Systematic Name

English

Benzenesulfonic acid, 5-methoxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]-, sodium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

23695303