Direct Brown 101
[CAS# 3626-29-7]

Identification

• Name: Direct Brown 101
• Synonyms: Trisodium (3E)-3-[[4-[4-[4-[(N'z)-N'-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Phenyl]Azo-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Trisodium (3E)-3-[[4-[4-[4-[(N'z)-N'-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Phenyl]Azo-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Trisodium (3E)-3-[[4-[4-[4-[(N'z)-N'-(3-Carboxylato-4-Keto-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Phenyl]Azo-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₆H₂₁N₆Na₃O₉S
• Molecular Weight: 782.63
• CAS Registry Number: 3626-29-7
• SMILES: C4=C([S]([O-])(=O)=O)C=CC5=C(N=NC3=CC=C(C2=CC=C(N\N=C1/C=C(C(=O)C=C1)C([O-])=O)C=C2)C=C3)C=CC(=C45)N\N=C6\C=C(C(=O)C=C6)C([O-])=O.[Na+].[Na+].[Na+]
• InChI: 1S/C36H24N6O9S.3Na/c43-33-15-9-24(17-29(33)35(45)46)39-37-22-5-1-20(2-6-22)21-3-7-23(8-4-21)38-41-31-13-14-32(28-19-26(52(49,50)51)11-12-27(28)31)42-40-25-10-16-34(44)30(18-25)36(47)48;;;/h1-19,37,42H,(H,45,46)(H,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-24-,40-25+,41-38?
• InChIKey: UTUYNZFEXDDZMA-BEBWUMNOSA-K