3,3'-[Carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H28N6O13S4
Molecular Weight	868.889
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-[Carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulfonic acid

Structure Search

SMILES

CC1=CC(NC(=O)NC2=CC=C(N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)C(C)=C2)=CC=C1N=NC5=CC(=C6C=CC=C(C6=C5)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=XFUDRSZJCBDNPN-QYGUTFKISA-N

InChI=1S/C35H28N6O13S4/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b40-38+,41-39+

HIDE SMILES / InChI

Molecular Formula	C35H28N6O13S4
Molecular Weight	868.889
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:37:52 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:52 GMT 2025`
Record UNII	XH8RXW7FF7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,5-NAPHTHALENEDISULFONIC ACID, 3,3'-(CARBONYLBIS(IMINO(2-METHYL-4,1-PHENYLENE)AZO))BIS-

Preferred Name

English

3,3'-[Carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulfonic acid

Systematic Name

English

C.I. Direct Yellow 50 Free Base

Common Name

English

3,3?-[Carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[1,5-naphthalenedisulfonic acid]

Systematic Name

English

1,5-Naphthalenedisulfonic acid, 3,3?-[carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis-

Systematic Name

English

Code System Code Type Description

PUBCHEM

18576