Trisodium 7-[[4-Chloro-6-[N-(Sulphonatomethyl)Anilino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(O-Sulphonatophenyl)Azo]Naphthalene-2-Sulphonate
[CAS# 29779-17-7]

Identification

• Name: Trisodium 7-[[4-Chloro-6-[N-(Sulphonatomethyl)Anilino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(O-Sulphonatophenyl)Azo]Naphthalene-2-Sulphonate
• Synonyms: Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2-Sulfonate; Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]-2-Naphthalenesulfonate; Trisodium (3E)-7-[[4-Chloro-6-(Phenyl-(Sulfonatomethyl)Amino)-S-Triazin-2-Yl]Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₆H₁₇ClN₇Na₃O₁₀S₃
• Molecular Weight: 788.06
• CAS Registry Number: 29779-17-7
• EINECS: 249-844-3
• 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[S]([O-])(=O)=O)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C26H20ClN7O10S3.3Na/c27-24-29-25(31-26(30-24)34(14-45(36,37)38)17-6-2-1-3-7-17)28-16-10-11-18-15(12-16)13-21(47(42,43)44)22(23(18)35)33-32-19-8-4-5-9-20(19)46(39,40)41;;;/h1-13,32H,14H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3/b33-22-
• InChIKey: ZIVIYOKNNABBFG-ZHMXUHHZSA-K