Trisodium 2-[[6-[[4-Fluoro-6-(Methylphenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS 70571-70-9]

Identification

• Name: Trisodium 2-[[6-[[4-Fluoro-6-(Methylphenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Trisodium 2-[(N'z)-N'-[6-[[4-Fluoro-6-(Methyl-Phenyl-Amino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate; Trisodium 2-[(N'z)-N'-[6-[[4-Fluoro-6-(Methyl-Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate; Trisodium 2-[(N'z)-N'-[6-[[4-Fluoro-6-(Methyl-Phenyl-Amino)-S-Triazin-2-Yl]Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,5-Disulfonate
• Molecular Formula: C₃₀H₁₉FN₇Na₃O₁₀S₃
• Molecular Weight: 821.67
• CAS Registry Number: 70571-70-9
• EINECS: 274-673-6
• SMILES: C1=CC(=C([S]([O-])(=O)=O)C2=C1C(=CC=C2)[S]([O-])(=O)=O)N\N=C3/C(=CC4=C(C3=O)C=CC(=C4)NC5=NC(=NC(=N5)F)N(C6=CC=CC=C6)C)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C30H22FN7O10S3.3Na/c1-38(18-6-3-2-4-7-18)30-34-28(31)33-29(35-30)32-17-10-11-19-16(14-17)15-24(50(43,44)45)25(26(19)39)37-36-22-13-12-20-21(27(22)51(46,47)48)8-5-9-23(20)49(40,41)42;;;/h2-15,36H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3/b37-25+
• InChIKey: MXCJYLPXCJFMPT-QVQKBXDWSA-K