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Details

Stereochemistry ACHIRAL
Molecular Formula C30H24N12O6S2.2Na
Molecular Weight 758.698
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of Disodium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid

SMILES

[Na+].[Na+].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=VTEBSADXXKSKOE-HJHBPSPHSA-L
InChI=1S/C30H26N12O6S2.2Na/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);;/q;2*+1/p-2/b39-35+,40-36+,41-37+,42-38+;;

HIDE SMILES / InChI

Approval Year

Name Type Language
DISODIUM 4,4'-(1,3-PHENYLENEBIS((DIAZENE-2,1-DIYL)(4,6-DIAMINO-3,1-PHENYLENE)DIAZENE-2,1-DIYL))DI(BENZENE-1-SULFONATE)
Preferred Name English
Disodium 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-, disodium salt
Systematic Name English
C.I. Direct Brown 44, disodium salt
Common Name English
Direct Brown 3G
Common Name English
C.I.35005
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID6064165
Created by admin on Wed Apr 02 10:21:42 GMT 2025 , Edited by admin on Wed Apr 02 10:21:42 GMT 2025
PRIMARY
FDA UNII
RCS6SCN4PL
Created by admin on Wed Apr 02 10:21:42 GMT 2025 , Edited by admin on Wed Apr 02 10:21:42 GMT 2025
PRIMARY
CAS
6252-62-6
Created by admin on Wed Apr 02 10:21:42 GMT 2025 , Edited by admin on Wed Apr 02 10:21:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-375-8
Created by admin on Wed Apr 02 10:21:42 GMT 2025 , Edited by admin on Wed Apr 02 10:21:42 GMT 2025
PRIMARY