Diammonium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H24N12O6S2.2H4N
Molecular Weight	748.795
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of Diammonium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid

Structure Search

SMILES

[NH4+].[NH4+].NC1=CC(N)=C(C=C1\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)\N=N\C3=CC=CC(=C3)\N=N\C4=C(N)C=C(N)C(=C4)\N=N\C5=CC=C(C=C5)S([O-])(=O)=O

InChI

InChIKey=YNFWHCCJLKKICU-HJHBPSPHSA-N

InChI=1S/C30H26N12O6S2.2H3N/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);2*1H3/b39-35+,40-36+,41-37+,42-38+;;

HIDE SMILES / InChI

Molecular Formula	C30H24N12O6S2
Molecular Weight	712.718
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
Optical Activity	NONE

Molecular Formula	H4N
Molecular Weight	18.0385
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 17:45:59 GMT 2025` Edited by `admin` on `Tue Apr 01 17:45:59 GMT 2025`
Record UNII	J8E3ET3YZF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Bisammonium 4,4'-(1,3-phenylenebis((diazine-2,1-diyl)(4,6-diamino-3,1-phenylene)diazene-2,1-diyl))di(benzene-1-sulfonate)

Preferred Name

English

Diammonium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 4,4?-[1,3-phenylenebis[2,1-diazenediyl(4,6-diamino-3,1-phenylene)-2,1-diazenediyl]]bis-, diammonium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

174491