Trisodium 4-Amino-3-[[4-[[[4-[(7-Amino-1-Hydroxy-3-Sulphonato-2-Naphthyl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate
[CAS# 94159-60-1]

Identification

• Name: Trisodium 4-Amino-3-[[4-[[[4-[(7-Amino-1-Hydroxy-3-Sulphonato-2-Naphthyl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium (6E)-4-Amino-3-[4-[[4-[(N'e)-N'-(7-Amino-1-Oxo-3-Sulfonato-2-Naphthylidene)Hydrazino]Phenyl]Carbamoyl]Phenyl]Azo-5-Oxo-6-(Phenylhydrazono)Naphthalene-2,7-Disulfonate; Trisodium (6E)-4-Amino-3-[4-[[[4-[(N'e)-N'-(7-Amino-1-Oxo-3-Sulfonato-2-Naphthy
• Molecular Formula: C₃₉H₂₆N₉Na₃O₁₂S₃
• Molecular Weight: 977.84
• CAS Registry Number: 94159-60-1
• EINECS: 303-241-2
• SMILES: C1=C7C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=CC=C(C=C2)C(=O)NC5=CC=C(N\N=C3\C(=CC4=C(C3=O)C=C(N)C=C4)[S]([O-])(=O)=O)C=C5)C(=O)C(=N/NC6=CC=CC=C6)\C(=C7)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C39H29N9O12S3.3Na/c40-23-9-6-21-16-30(62(55,56)57)35(37(49)28(21)19-23)47-45-27-14-12-24(13-15-27)42-39(51)20-7-10-26(11-8-20)44-46-34-29(61(52,53)54)17-22-18-31(63(58,59)60)36(38(50)32(22)33(34)41)48-43-25-4-2-1-3-5-25;;;/h1-19,43,45H,40-41H2,(H,42,51
• InChIKey: NEGVNGSFZYDTCX-BDCBPVHXSA-K