Direct Brown 79
[CAS# 6483-77-8]

Identification

• Name: Direct Brown 79
• Synonyms: Trisodium (3E)-3-[[4-[4-[2,4-Diamino-5-(2,4-Disulfonatophenyl)Azo-Phenyl]Azophenyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Trisodium (3E)-3-[[4-[4-[2,4-Diamino-5-(2,4-Disulfonatophenyl)Azophenyl]Azophenyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Trisodium (3E)-3-[[4-[4-[2,4-Diamino-5-(2,4-Disulfonatophenyl)Azo-Phenyl]Azophenyl]Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₁H₂₁N₈Na₃O₉S₂
• Molecular Weight: 782.64
• CAS Registry Number: 6483-77-8
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1[S]([O-])(=O)=O)N=NC2=C(N)C=C(N)C(=C2)N=NC5=CC=C(C4=CC=C(N\N=C3\C=C(C(=O)C=C3)C([O-])=O)C=C4)C=C5.[Na+].[Na+].[Na+]
• InChI: 1S/C31H24N8O9S2.3Na/c32-24-15-25(33)28(39-37-26-11-10-22(49(43,44)45)14-30(26)50(46,47)48)16-27(24)38-35-20-7-3-18(4-8-20)17-1-5-19(6-2-17)34-36-21-9-12-29(40)23(13-21)31(41)42;;;/h1-16,34H,32-33H2,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3/b36-21+,38-35?,39-37?
• InChIKey: GGSGDDUPJKWROL-TVCRDFFBSA-K