5-Methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonic acid, (Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H41NO5S
Molecular Weight	467.662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-Methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonic acid, (Z)-

Structure Search

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)NC1=C(C=C(OC)C=C1)S(O)(=O)=O

InChI

InChIKey=JJGUVAWIWNKTSS-KHPPLWFESA-N

InChI=1S/C25H41NO5S/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)/b11-10-

HIDE SMILES / InChI

Approval Year

Name

Type

Language

5-Methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonic acid, (Z)-

Systematic Name

English

(Z)-5-Methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonic acid

Preferred Name

English

5-Methoxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]benzenesulfonic acid

Systematic Name

English

5-Methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

95BNN54TWX

Created by admin on Wed Apr 02 19:18:00 GMT 2025 , Edited by admin on Wed Apr 02 19:18:00 GMT 2025

PRIMARY

CAS

791728-77-3

Created by admin on Wed Apr 02 19:18:00 GMT 2025 , Edited by admin on Wed Apr 02 19:18:00 GMT 2025

PRIMARY

PUBCHEM

20838752

Created by admin on Wed Apr 02 19:18:00 GMT 2025 , Edited by admin on Wed Apr 02 19:18:00 GMT 2025

PRIMARY

SALT/SOLVATE (PARENT)


					A8GHR6BQU7

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

SUBSTANCE RECORD


					95BNN54TWX

5-Methoxy-2-((1-oxooctadec-9-enyl)amino)benzenesulfonic acid, (Z)-