Trisodium Hydrogen [[4-[[4-[[4-[(1-Hydroxy-4-Sulphonato-2-Naphthyl)Azo]-7-Sulphonato-1-Naphthyl]Azo]-7-Sulphonato-1-Naphthyl]Azo]Phenyl]Amino]Oxoacetate
[CAS# 68400-56-6]

Identification

• Name: Trisodium Hydrogen [[4-[[4-[[4-[(1-Hydroxy-4-Sulphonato-2-Naphthyl)Azo]-7-Sulphonato-1-Naphthyl]Azo]-7-Sulphonato-1-Naphthyl]Azo]Phenyl]Amino]Oxoacetate
• Synonyms: Trisodium 8-[[4-[4-(Oxaloamino)Phenyl]Azo-6-Sulfonato-1-Naphthyl]Azo]-5-[(N'z)-N'-(1-Oxo-4-Sulfonato-2-Naphthylidene)Hydrazino]Naphthalene-2-Sulfonate; Trisodium 8-[[4-[4-(Oxaloamino)Phenyl]Azo-6-Sulfonato-1-Naphthyl]Azo]-5-[(N'z)-N'-(1-Oxo-4-Sulfonato-2-Naphthylidene)Hydrazino]-2-Naphthalenesulfonate; Trisodium 5-[(N'z)-N'-(1-Keto-4-Sulfonato-2-Naphthylidene)Hydrazino]-8-[[4-[4-(Oxaloamino)Phenyl]Azo-6-Sulfonato-1-Naphthyl]Azo]Naphthalene-2-Sulfonate
• Molecular Formula: C₃₈H₂₂N₇Na₃O₁₃S₃
• Molecular Weight: 949.78
• CAS Registry Number: 68400-56-6
• EINECS: 270-046-6
• SMILES: C3=C([S]([O-])(=O)=O)C=CC4=C(N\N=C2/C(=O)C1=CC=CC=C1C(=C2)[S]([O-])(=O)=O)C=CC(=C34)N=NC6=C7C(=C(N=NC5=CC=C(NC(=O)C(O)=O)C=C5)C=C6)C=C([S]([O-])(=O)=O)C=C7.[Na+].[Na+].[Na+]
• InChI: 1S/C38H25N7O13S3.3Na/c46-36-27-4-2-1-3-26(27)35(61(56,57)58)19-34(36)45-43-31-14-16-33(29-18-23(60(53,54)55)10-12-25(29)31)44-42-30-13-15-32(28-17-22(59(50,51)52)9-11-24(28)30)41-40-21-7-5-20(6-8-21)39-37(47)38(48)49;;;/h1-19,43H,(H,39,47)(H,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b41-40?,44-42?,45-34-
• InChIKey: LQWPSJQNLMGIBM-HZRBHMMPSA-K