Trisodium 7-[[4-[[4-[[6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoyl]Amino]-o-Tolyl]Azo]Naphthalene-1,3-Disulphonate
[CAS# 6104-56-9]

Identification

• Name: Trisodium 7-[[4-[[4-[[6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoyl]Amino]-o-Tolyl]Azo]Naphthalene-1,3-Disulphonate
• Synonyms: Trisodium 7-[4-[[4-[(N'e)-N'-[6-[(4-Aminobenzoyl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoyl]Amino]-2-Methyl-Phenyl]Azonaphthalene-1,3-Disulfonate; Trisodium 7-[4-[[[4-[(N'e)-N'-[6-[[(4-Aminophenyl)-Oxomethyl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]-Oxomethyl]Amino]-2-Methylphenyl]Azonaphthalene-1,3-Disulfonate; Trisodium 7-[4-[[4-[(N'e)-N'-[6-[(4-Aminobenzoyl)Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoyl]Amino]-2-Methyl-Phenyl]Azonaphthalene-1,3-Disulfonate
• Molecular Formula: C₄₁H₂₈N₇Na₃O₁₂S₃
• Molecular Weight: 975.86
• CAS Registry Number: 6104-56-9
• EINECS: 228-057-9
• SMILES: C1=C7C(=C([S]([O-])(=O)=O)C=C1[S]([O-])(=O)=O)C=C(N=NC6=C(C=C(NC(=O)C5=CC=C(N\N=C2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC=C(N)C=C4)[S]([O-])(=O)=O)C=C5)C=C6)C)C=C7.[Na+].[Na+].[Na+]
• InChI: 1S/C41H31N7O12S3.3Na/c1-22-16-29(13-15-35(22)47-46-31-11-6-25-18-32(61(52,53)54)21-36(34(25)20-31)62(55,56)57)43-41(51)24-4-9-28(10-5-24)45-48-38-37(63(58,59)60)19-26-17-30(12-14-33(26)39(38)49)44-40(50)23-2-7-27(42)8-3-23;;;/h2-21,45H,42H2,1H3,(H,43,51)(H,44,50)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b47-46?,48-38-
• InChIKey: AMKJOFDCXVFURH-YRPWZPCXSA-K