5-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-4-Hydroxy-3-[[4'-[(2-Hydroxy-3,6-Disulfo-1-Naphthalenyl)Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
[CAS# 66214-47-9]

Identification

• Name: 5-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-4-Hydroxy-3-[[4'-[(2-Hydroxy-3,6-Disulfo-1-Naphthalenyl)Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
• Synonyms: Tetrasodium (3E)-3-[[2-Methoxy-4-[3-Methoxy-4-[(N'z)-N'-(2-Oxo-3,6-Disulfonato-1-Naphthylidene)Hydrazino]Phenyl]Phenyl]Hydrazono]-5-[(3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Yl)Azo]-4-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (3E)-3-[[2-Methoxy-4-[3-Methoxy-4-[(N'z)-N'-(2-Oxo-3,6-Disulfonato-1-Naphthylidene)Hydrazino]Phenyl]Phenyl]Hydrazono]-5-[(3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Yl)Azo]-4-Oxonaphthalene-2,7-Disulfonate; Tetrasodium (3E)-4-Keto-3-[[4-[4-[(N'z)-N'-(2-Keto-3,6-Disulfonato-1-Naphthylidene)Hydrazino]-3-Methoxy-Phenyl]-2-Methoxy-Phenyl]Hydrazono]-5-[(5-Keto-3-Methyl-1-Phenyl-4H-Pyrazol-4-Yl)Azo]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₄₄H₃₀N₈Na₄O₁₇S₄
• Molecular Weight: 1162.96
• CAS Registry Number: 66214-47-9
• EINECS: 266-246-8
• SMILES: C3=C([S]([O-])(=O)=O)C=C(N=NC1C(=NN(C1=O)C2=CC=CC=C2)C)C8=C3C=C([S]([O-])(=O)=O)/C(=N/NC7=C(OC)C=C(C6=CC(=C(N\N=C/4C5=C(C=C([S]([O-])(=O)=O)C4=O)C=C([S]([O-])(=O)=O)C=C5)C=C6)OC)C=C7)C8=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C44H34N8O17S4.4Na/c1-22-39(44(55)52(51-22)27-7-5-4-6-8-27)48-47-33-21-29(71(59,60)61)16-26-20-36(72(62,63)64)41(43(54)38(26)33)50-46-32-14-10-24(18-35(32)69-3)23-9-13-31(34(17-23)68-2)45-49-40-30-12-11-28(70(56,57)58)15-25(30)19-37(42(40)53)73(65,66)67;;;;/h4-21,39,45-46H,1-3H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b48-47?,49-40-,50-41-
• InChIKey: XMGSNTAMFWLZFK-JLIMMOILSA-J