Tetrasodium 3-((4-((8-((1-((Anilino)Carbonyl)-2-Oxopropyl)Azo)-1-Hydroxy-3,6-Disulphonato-2-Naphthyl)Azo)Naphthyl)Azo)Naphthalene-1,5-Disulphonate
[CAS# 94134-51-7]

Identification

• Name: Tetrasodium 3-((4-((8-((1-((Anilino)Carbonyl)-2-Oxopropyl)Azo)-1-Hydroxy-3,6-Disulphonato-2-Naphthyl)Azo)Naphthyl)Azo)Naphthalene-1,5-Disulphonate
• Synonyms: Tetrasodium (3E)-3-[[4-[(4,8-Disulfonato-2-Naphthyl)Azo]-1-Naphthyl]Hydrazono]-4-Oxo-5-[2-Oxo-1-(Phenylcarbamoyl)Propyl]Azo-Naphthalene-2,7-Disulfonate; Tetrasodium (3E)-3-[[4-[(4,8-Disulfonato-2-Naphthyl)Azo]-1-Naphthyl]Hydrazono]-4-Oxo-5-[2-Oxo-1-[Oxo-(Phenylamino)Methyl]Propyl]Azonaphthalene-2,7-Disulfonate; Tetrasodium (3E)-3-[[4-[(4,8-Disulfonato-2-Naphthyl)Azo]-1-Naphthyl]Hydrazono]-4-Keto-5-[2-Keto-1-(Phenylcarbamoyl)Propyl]Azo-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₄₀H₂₅N₇Na₄O₁₅S₄
• Molecular Weight: 1063.87
• CAS Registry Number: 94134-51-7
• EINECS: 302-820-7
• SMILES: C2=C([S]([O-])(=O)=O)C=C(N=NC(C(=O)NC1=CC=CC=C1)C(=O)C)C7=C2C=C([S]([O-])(=O)=O)/C(=N/NC5=CC=C(N=NC3=CC4=C(C(=C3)[S]([O-])(=O)=O)C=CC=C4[S]([O-])(=O)=O)C6=CC=CC=C56)C7=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C40H29N7O15S4.4Na/c1-21(48)37(40(50)41-23-8-3-2-4-9-23)46-45-32-20-25(63(51,52)53)16-22-17-35(66(60,61)62)38(39(49)36(22)32)47-44-31-15-14-30(26-10-5-6-11-27(26)31)43-42-24-18-29-28(34(19-24)65(57,58)59)12-7-13-33(29)64(54,55)56;;;;/h2-20,37,44H,1H3,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b43-42?,46-45?,47-38-
• InChIKey: VULLJKNGOGGKKB-NLCRNCIBSA-J