Trisodium 2-[[2-Amino-5-Hydroxy-6-[[4'-[(2-Hydroxy-6-Sulphonato-1-Naphthyl)Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-7-Sulphonato-1-Naphthyl]Azo]-5-Nitrobenzoate
[CAS# 71566-41-1]

Identification

• Name: Trisodium 2-[[2-Amino-5-Hydroxy-6-[[4'-[(2-Hydroxy-6-Sulphonato-1-Naphthyl)Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-7-Sulphonato-1-Naphthyl]Azo]-5-Nitrobenzoate
• Synonyms: 3,3'-Dimethoxy-4-((8-((2-Carboxy-4-Nitrophenyl)Azo)-7-Amino-4-Hydroxy-2-Sulfonaphth-3-Yl)Azo)-4'-((2-Hydroxy-6-Sulfonaphth-1-Yl)Azo)-1,1'-Biphenyl, Trisodium Salt; Benzoic Acid, 2-((2-Amino-5-Hydroxy-6-((4'-((2-Hydroxy-6-Sulfo-1-Naphthalenyl)Azo)-3,3'-Dimethoxy(1,1'-Biphenyl)-4-Yl)Azo)-7-Sulfo-1-Naphthalenyl)Azo)-5-Nitro-, Trisodium Salt
• Molecular Formula: C₄₁H₂₇N₈Na₃O₁₄S₂
• Molecular Weight: 988.80
• CAS Registry Number: 71566-41-1
• EINECS: 275-635-1
• SMILES: C2=CC(=C(N=NC1=C(C=C([N+]([O-])=O)C=C1)C([O-])=O)C7=C2C(=O)C(=N/NC6=C(OC)C=C(C5=CC(=C(N\N=C\4C3=C(C=C([S]([O-])(=O)=O)C=C3)C=CC4=O)C=C5)OC)C=C6)\C(=C7)[S]([O-])(=O)=O)N.[Na+].[Na+].[Na+]
• InChI: 1S/C41H30N8O14S2.3Na/c1-62-34-16-20(3-11-31(34)44-47-38-25-8-7-24(64(56,57)58)15-22(25)5-14-33(38)50)21-4-12-32(35(17-21)63-2)45-48-39-36(65(59,60)61)19-27-26(40(39)51)9-10-29(42)37(27)46-43-30-13-6-23(49(54)55)18-28(30)41(52)53;;;/h3-19,44-45H,42H2,1-2H3,(H,52,53)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b46-43?,47-38+,48-39-
• InChIKey: KTDBEJJMGSVHGK-CJUULXFVSA-K