Trisodium 7-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-4-Hydroxy-3-[(4-Methoxy-2-Sulphonatophenyl)Azo]Naphthalene-2-Sulphonate
[CAS# 12237-01-3]

Identification

• Name: Trisodium 7-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Methylamino]-4-Hydroxy-3-[(4-Methoxy-2-Sulphonatophenyl)Azo]Naphthalene-2-Sulphonate
• Synonyms: Trisodium (3E)-7-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]-Methyl-Amino]-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2-Sulfonate; Trisodium (3E)-7-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]-Methylamino]-3-[(4-Methoxy-2-Sulfonatophenyl)Hydrazono]-4-Oxo-2-Naphthalenesulfonate; Trisodium (3E)-7-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]-Methyl-Amino]-4-Keto-3-[(4-Methoxy-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₇H₁₉ClN₇Na₃O₁₁S₃
• Molecular Weight: 818.09
• CAS Registry Number: 12237-01-3
• EINECS: 235-466-6
• SMILES: C3=C(N(C)C1=NC(=NC(=N1)NC2=CC=C([S]([O-])(=O)=O)C=C2)Cl)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/c1-35(27-31-25(28)30-26(32-27)29-15-3-7-18(8-4-15)47(37,38)39)16-5-9-19-14(11-16)12-22(49(43,44)45)23(24(19)36)34-33-20-10-6-17(46-2)13-21(20)48(40,41)42;;;/h3-13,33H,1-2H3,(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: SKKRPQHHMDZOAG-ZJBQBXSLSA-K