7-[[4-Chloro-6-[Phenyl(Sulfomethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[2-(4-Methoxy-2-Sulfophenyl)Diazenyl]-2-Naphthalenesulfonicacid Sodium Salt (1:3)
[CAS# 85455-59-0]

Identification

• Name: 7-[[4-Chloro-6-[Phenyl(Sulfomethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[2-(4-Methoxy-2-Sulfophenyl)Diazenyl]-2-Naphthalenesulfonicacid Sodium Salt (1:3)
• Synonyms: Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2-Sulfonate; Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methoxy-2-Sulfonatophenyl)Hydrazono]-4-Oxo-2-Naphthalenesulfonate; Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-S-Triazin-2-Yl]Amino]-4-Keto-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₇H₁₉ClN₇Na₃O₁₁S₃
• Molecular Weight: 818.09
• CAS Registry Number: 85455-59-0
• EINECS: 287-295-1
• 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=C([S]([O-])(=O)=O)C=C(OC)C=C4)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H22ClN7O11S3.3Na/c1-46-18-8-10-20(21(13-18)48(40,41)42)33-34-23-22(49(43,44)45)12-15-11-16(7-9-19(15)24(23)36)29-26-30-25(28)31-27(32-26)35(14-47(37,38)39)17-5-3-2-4-6-17;;;/h2-13,33H,14H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-23-
• InChIKey: FDTJUSGLOYAVCK-ZJBQBXSLSA-K