[1-[[6-[[4-(Benzoylamino)Phenyl]Amino]-1-Hydroxy-3-Sodiosulfo-2-Naphthalenyl]Azo]-4-[(4-Hydroxy-3-Sodiooxycarbonylphenyl)Azo]-6-Sodiosulfo-2-Naphthalenyloxy]Acetic Acid Sodium Salt
[CAS# 5905-21-5]

Identification

• Name: [1-[[6-[[4-(Benzoylamino)Phenyl]Amino]-1-Hydroxy-3-Sodiosulfo-2-Naphthalenyl]Azo]-4-[(4-Hydroxy-3-Sodiooxycarbonylphenyl)Azo]-6-Sodiosulfo-2-Naphthalenyloxy]Acetic Acid Sodium Salt
• Synonyms: Tetrasodium (3Z)-3-[[4-[(N'e)-N'-[6-[[4-(Benzoylamino)Phenyl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-(2-Oxido-2-Oxo-Ethoxy)-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Tetrasodium (3Z)-3-[[3-(2-Oxido-2-Oxoethoxy)-4-[(N'e)-N'-[1-Oxo-6-[[4-[(Oxo-Phenylmethyl)Amino]Phenyl]Amino]-3-Sulfonato-2-Naphthylidene]Hydrazino]-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Tetrasodium (3Z)-3-[[4-[(N'e)-N'-[6-[[4-(Benzoylamino)Phenyl]Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]-3-(2-Keto-2-Oxido-Ethoxy)-7-Sulfonato-1-Naphthyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₄₂H₂₆N₆Na₄O₁₄S₂
• Molecular Weight: 994.78
• CAS Registry Number: 5905-21-5
• SMILES: C1=C([S]([O-])(=O)=O)C=CC2=C1C(=CC(=C2N\N=C3\C(=CC4=C(C3=O)C=CC(=C4)NC6=CC=C(NC(=O)C5=CC=CC=C5)C=C6)[S]([O-])(=O)=O)OCC([O-])=O)N\N=C7/C=C(C(=O)C=C7)C([O-])=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H30N6O14S2.4Na/c49-34-15-11-27(18-32(34)42(54)55)45-46-33-20-35(62-21-37(50)51)38(30-14-12-28(19-31(30)33)63(56,57)58)47-48-39-36(64(59,60)61)17-23-16-26(10-13-29(23)40(39)52)43-24-6-8-25(9-7-24)44-41(53)22-4-2-1-3-5-22;;;;/h1-20,43,46-47H,21H2,(H,44,53)(H,50,51)(H,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b45-27-,48-39-
• InChIKey: XHAVGGUEAFUXHG-COPJQVGSSA-J