Trisodium 2-{[6-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-1,5-naphthalenedisulfonate
[CAS# 89923-44-4]

Identification

• Name: Trisodium 2-{[6-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-1,5-naphthalenedisulfonate
• Synonyms: trisodium 2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
• Molecular Formula: C₃₁H₂₁FN₇Na₃O₁₀S₃
• Molecular Weight: 835.70
• CAS Registry Number: 89923-44-4
• EINECS: 289-537-1
• SMILES: [Na+].[Na+].[Na+].CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6
• InChI: 1S/C31H24FN7O10S3.3Na/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3
• InChIKey: HUBCJMNHXBJUAT-UHFFFAOYSA-K