Direct Brown 52
[CAS# 6505-12-0]

Identification

• Name: Direct Brown 52
• Synonyms: Trisodium (3Z)-3-[[4-[4-[(N'z)-N'-[8-(2,4-Diaminophenyl)Azo-1-Oxo-3,6-Disulfonato-2-Naphthylidene]Hydrazino]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Trisodium (3Z)-3-[[4-[4-[(N'z)-N'-[8-(2,4-Diaminophenyl)Azo-1-Oxo-3,6-Disulfonato-2-Naphthylidene]Hydrazino]-3-Methylphenyl]-2-Methylphenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Trisodium (3Z)-3-[[4-[4-[(N'z)-N'-[8-(2,4-Diaminophenyl)Azo-1-Keto-3,6-Disulfonato-2-Naphthylidene]Hydrazino]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₇H₂₇N₈Na₃O₁₀S₂
• Molecular Weight: 876.76
• CAS Registry Number: 6505-12-0
• EINECS: 229-387-6
• SMILES: C2=C([S]([O-])(=O)=O)C=C(N=NC1=C(N)C=C(N)C=C1)C6=C2C=C([S]([O-])(=O)=O)\C(=N/NC5=C(C=C(C4=CC(=C(N\N=C3/C=C(C(=O)C=C3)C([O-])=O)C=C4)C)C=C5)C)C6=O.[Na+].[Na+].[Na+]
• InChI: 1S/C37H30N8O10S2.3Na/c1-18-11-20(3-7-28(18)41-40-24-6-10-32(46)26(16-24)37(48)49)21-4-8-29(19(2)12-21)42-45-35-33(57(53,54)55)14-22-13-25(56(50,51)52)17-31(34(22)36(35)47)44-43-30-9-5-23(38)15-27(30)39;;;/h3-17,41-42H,38-39H2,1-2H3,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b40-24-,44-43?,45-35+
• InChIKey: KZIYSCIXWSIADC-GVVXYSJNSA-K