Direct Brown 222
[CAS# 64743-15-3]

Identification

• Name: Direct Brown 222
• Synonyms: Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azo-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azophenyl]Azo-3-Methylphenyl]-2-Methylphenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azo-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₄H₂₈N₈Na₂O₆S
• Molecular Weight: 722.68
• CAS Registry Number: 64743-15-3
• SMILES: C4=C(C3=CC(=C(N=NC1=C(N)C(=CC(=C1N)N=NC2=CC=C([S]([O-])(=O)=O)C=C2)C)C=C3)C)C=CC(=C4C)N\N=C5\C=C(C(=O)C=C5)C([O-])=O.[Na+].[Na+]
• InChI: 1S/C34H30N8O6S.2Na/c1-18-14-21(4-11-27(18)39-38-24-8-13-30(43)26(17-24)34(44)45)22-5-12-28(19(2)15-22)40-42-33-31(35)20(3)16-29(32(33)36)41-37-23-6-9-25(10-7-23)49(46,47)48;;/h4-17,39H,35-36H2,1-3H3,(H,44,45)(H,46,47,48);;/q;2*+1/p-2/b38-24+,41-37?,42-40?
• InChIKey: QWSCQFQRGUGVPL-AUJUXQITSA-L