3-Hydroxy-4-[[4'-[[1-Hydroxy-6-(Phenylamino)-3-Sulfo-2-Naphthalenyl]Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-2,7-Naphthalenedisulfonic Acid Trisodium Salt
[CAS# 68084-25-3]

Identification

• Name: 3-Hydroxy-4-[[4'-[[1-Hydroxy-6-(Phenylamino)-3-Sulfo-2-Naphthalenyl]Azo]-3,3'-Dimethoxy[1,1'-Biphenyl]-4-Yl]Azo]-2,7-Naphthalenedisulfonic Acid Trisodium Salt
• Synonyms: Trisodium (4Z)-4-[[2-Methoxy-4-[3-Methoxy-4-[(N'e)-N'-[1-Oxo-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]Phenyl]Hydrazono]-3-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (4Z)-4-[[2-Methoxy-4-[3-Methoxy-4-[(N'e)-N'-[1-Oxo-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]Phenyl]Hydrazono]-3-Oxonaphthalene-2,7-Disulfonate; Trisodium (4Z)-3-Keto-4-[[4-[4-[(N'e)-N'-[1-Keto-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-Methoxy-Phenyl]-2-Methoxy-Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₄₀H₂₈N₅Na₃O₁₃S₃
• Molecular Weight: 951.84
• CAS Registry Number: 68084-25-3
• SMILES: C1=C([S]([O-])(=O)=O)C=CC2=C1C=C([S]([O-])(=O)=O)C(=O)\C2=N/NC7=C(OC)C=C(C6=CC(=C(N\N=C3\C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)[S]([O-])(=O)=O)C=C6)OC)C=C7.[Na+].[Na+].[Na+]
• InChI: 1S/C40H31N5O13S3.3Na/c1-57-33-18-22(8-14-31(33)42-44-37-29-13-11-28(59(48,49)50)17-25(29)21-36(40(37)47)61(54,55)56)23-9-15-32(34(19-23)58-2)43-45-38-35(60(51,52)53)20-24-16-27(10-12-30(24)39(38)46)41-26-6-4-3-5-7-26;;;/h3-21,41-43H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b44-37-,45-38-
• InChIKey: BKVZXHHMOSVARF-WLAUWDSLSA-K