Direct Black 4, disodium salt
[CAS# 2429-83-6]

Identification

• Name: Direct Black 4, disodium salt
• Synonyms: Disodium (6E)-4-Amino-3-[4-[4-(2,4-Diamino-5-Methyl-Phenyl)Azophenyl]Phenyl]Azo-5-Oxo-6-(Phenylhydrazono)Naphthalene-2,7-Disulfonate; Disodium (6E)-4-Amino-3-[4-[4-(2,4-Diamino-5-Methylphenyl)Azophenyl]Phenyl]Azo-5-Oxo-6-(Phenylhydrazono)Naphthalene-2,7-Disulfonate; Disodium (6E)-4-Amino-3-[4-[4-(2,4-Diamino-5-Methyl-Phenyl)Azophenyl]Phenyl]Azo-5-Keto-6-(Phenylhydrazono)Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₅H₂₇N₉Na₂O₇S₂
• Molecular Weight: 795.75
• CAS Registry Number: 2429-83-6
• EINECS: 219-392-1
• SMILES: C1=C([S]([O-])(=O)=O)C(=C(N)C3=C1C=C([S]([O-])(=O)=O)C(=N/NC2=CC=CC=C2)/C3=O)N=NC4=CC=C(C=C4)C6=CC=C(N=NC5=CC(=C(N)C=C5N)C)C=C6.[Na+].[Na+]
• InChI: 1S/C35H29N9O7S2.2Na/c1-19-15-28(27(37)18-26(19)36)42-39-24-11-7-20(8-12-24)21-9-13-25(14-10-21)41-43-33-29(52(46,47)48)16-22-17-30(53(49,50)51)34(35(45)31(22)32(33)38)44-40-23-5-3-2-4-6-23;;/h2-18,40H,36-38H2,1H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b42-39?,43-41?,44-34-
• InChIKey: BRHIWABGVRNFQS-SENRADQUSA-L