Trisodium 3-[[6-[[4-Chloro-6-[Phenyl(Sulphonatomethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoate
[CAS# 85455-56-7]

Identification

• Name: Trisodium 3-[[6-[[4-Chloro-6-[Phenyl(Sulphonatomethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoate
• Synonyms: Trisodium 3-[(N'e)-N'-[6-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoate; Trisodium 3-[(N'e)-N'-[6-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-S-Triazin-2-Yl]Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoate; Trisodium 3-[(2E)-2-[6-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfonato-Naphthalen-2-Ylidene]Hydrazinyl]Benzoate
• Molecular Formula: C₂₇H₁₇ClN₇Na₃O₉S₂
• Molecular Weight: 752.02
• CAS Registry Number: 85455-56-7
• EINECS: 287-292-5
• SMILES: C3=C(NC1=NC(=NC(=N1)Cl)N(C[S]([O-])(=O)=O)C2=CC=CC=C2)C=CC5=C3C=C([S]([O-])(=O)=O)/C(=N/NC4=CC=CC(=C4)C([O-])=O)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H20ClN7O9S2.3Na/c28-25-30-26(32-27(31-25)35(14-45(39,40)41)19-7-2-1-3-8-19)29-17-9-10-20-16(12-17)13-21(46(42,43)44)22(23(20)36)34-33-18-6-4-5-15(11-18)24(37)38;;;/h1-13,33H,14H2,(H,37,38)(H,39,40,41)(H,42,43,44)(H,29,30,31,32);;;/q;3*+1/p-3/b34-22-
• InChIKey: MCAUOOWJYNDDKF-GTHSLJRASA-K