Trisodium 3-[4-[[5-[[4-Fluoro-6-[(O-Tolyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Naphthalene-1,5-Disulphonate
[CAS# 69929-13-1]

Identification

• Name: Trisodium 3-[4-[[5-[[4-Fluoro-6-[(O-Tolyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Naphthalene-1,5-Disulphonate
• Synonyms: Trisodium 3-[4-[5-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Naphthalene-1,5-Disulfonate; Trisodium 3-[4-[5-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Naphthalene-1,5-Disulfonate; Trisodium 3-[4-[5-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Naphthalene-1,5-Disulfonate
• Molecular Formula: C₃₀H₂₁FN₉Na₃O₁₀S₃
• Molecular Weight: 851.70
• CAS Registry Number: 69929-13-1
• EINECS: 274-220-2
• SMILES: C1=C6C(=C([S]([O-])(=O)=O)C=C1N5N=C(C(N=NC2=CC(=CC=C2[S]([O-])(=O)=O)NC3=NC(=NC(=N3)NC4=CC=CC=C4C)F)C5=O)C)C=CC=C6[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C30H24FN9O10S3.3Na/c1-15-6-3-4-8-21(15)33-30-35-28(31)34-29(36-30)32-17-10-11-24(52(45,46)47)22(12-17)37-38-26-16(2)39-40(27(26)41)18-13-20-19(25(14-18)53(48,49)50)7-5-9-23(20)51(42,43)44;;;/h3-14,26H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3
• InChIKey: ZRTOSNXWFXLLCA-UHFFFAOYSA-K