Trisodium 2-[[6-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Toluene-3,5-Disulphonate
[CAS# 69121-15-9]

Identification

• Name: Trisodium 2-[[6-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Toluene-3,5-Disulphonate
• Synonyms: Trisodium 4-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-5-Methyl-Benzene-1,3-Disulfonate; Trisodium 4-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-5-Methylbenzene-1,3-Disulfonate; Trisodium 4-[(N'z)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]-5-Methyl-Benzene-1,3-Disulfonate
• Molecular Formula: C₂₁H₁₁ClF₂N₅Na₃O₁₀S₃
• Molecular Weight: 731.94
• CAS Registry Number: 69121-15-9
• EINECS: 273-880-9
• SMILES: C2=C(NC1=C(Cl)C(=NC(=N1)F)F)C=CC4=C2C=C([S]([O-])(=O)=O)\C(=N/NC3=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C3C)C4=O.[Na+].[Na+].[Na+]
• InChI: 1S/C21H14ClF2N5O10S3.3Na/c1-8-4-11(40(31,32)33)7-14(42(37,38)39)16(8)28-29-17-13(41(34,35)36)6-9-5-10(2-3-12(9)18(17)30)25-20-15(22)19(23)26-21(24)27-20;;;/h2-7,28H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b29-17+
• InChIKey: MAYVOXYYGCRGLO-JOURZYLGSA-K