1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[4-chloro-6-[phenyl(sulfomethyl)amino]-1,3,5-triazin-2-yl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H24ClN9O13S4.4Na
Molecular Weight	1022.279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[4-chloro-6-[phenyl(sulfomethyl)amino]-1,3,5-triazin-2-yl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].COC1=CC(\N=N\C2=CC(=CC=C2S([O-])(=O)=O)S([O-])(=O)=O)=C(C)C=C1\N=N\C3=CC=C(NC4=NC(=NC(Cl)=N4)N(CS([O-])(=O)=O)C5=CC=CC=C5)C6=CC=C(C=C36)S([O-])(=O)=O

InChI

InChIKey=GYJVNJFBOLPDEO-INRNMLHDSA-J

InChI=1S/C34H28ClN9O13S4.4Na/c1-19-14-28(30(57-2)17-27(19)41-43-29-16-22(60(51,52)53)9-13-31(29)61(54,55)56)42-40-26-12-11-25(23-10-8-21(15-24(23)26)59(48,49)50)36-33-37-32(35)38-34(39-33)44(18-58(45,46)47)20-6-4-3-5-7-20;;;;/h3-17H,18H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,36,37,38,39);;;;/q;4*+1/p-4/b42-40+,43-41+;;;;

HIDE SMILES / InChI

Molecular Formula	C34H24ClN9O13S4
Molecular Weight	930.32
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
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 19:26:28 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:28 GMT 2025`
Record UNII	ALX37V5PZQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tetrasodium 2-((4-((4-((4-chloro-6-(N-(sulphonatomethyl)anilino)-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-5-methoxy-o-tolyl)azo)benzene-1,4-disulphonate

Preferred Name

English

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[4-chloro-6-[phenyl(sulfomethyl)amino]-1,3,5-triazin-2-yl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)

Systematic Name

English

Code System Code Type Description

FDA UNII

ALX37V5PZQ