Trisodium 7-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-[4-[(Hexahydro-2,4,6-Trioxopyrimidin-5-Yl)Azo]-3-Sulphonatophenyl]-2H-Naphtho[1,2-d]Triazole-5,9-Disulphonate
[CAS 68957-39-1]

Identification

• Name: Trisodium 7-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-[4-[(Hexahydro-2,4,6-Trioxopyrimidin-5-Yl)Azo]-3-Sulphonatophenyl]-2H-Naphtho[1,2-d]Triazole-5,9-Disulphonate
• Synonyms: Trisodium 7-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-[3-Sulfonato-4-(2,4,6-Trioxohexahydropyrimidin-5-Yl)Azo-Phenyl]Benzo[G]Benzotriazole-5,9-Disulfonate; Trisodium 7-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-[3-Sulfonato-4-[(2,4,6-Trioxo-5-Hexahydropyrimidinyl)Azo]Phenyl]Benzo[G]Benzotriazole-5,9-Disulfonate; Trisodium 7-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-[3-Sulfonato-4-(2,4,6-Triketohexahydropyrimidin-5-Yl)Azo-Phenyl]Benzo[G]Benzotriazole-5,9-Disulfonate
• Molecular Formula: C₂₄H₁₀ClF₂N₁₀Na₃O₁₂S₃
• Molecular Weight: 869.00
• CAS Registry Number: 68957-39-1
• EINECS: 273-336-0
• SMILES: C1=C([S]([O-])(=O)=O)C5=C(C2=N[N](N=C12)C4=CC=C(N=NC3C(=O)NC(=O)NC3=O)C(=C4)[S]([O-])(=O)=O)C(=CC(=C5)NC6=NC(=NC(=C6Cl)F)F)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C24H13ClF2N10O12S3.3Na/c25-16-19(26)29-23(27)30-20(16)28-7-3-9-12(50(41,42)43)6-11-17(15(9)14(4-7)52(47,48)49)36-37(35-11)8-1-2-10(13(5-8)51(44,45)46)33-34-18-21(38)31-24(40)32-22(18)39;;;/h1-6,18H,(H,28,29,30)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,38,39,40);;;/q;3*+1/p-3
• InChIKey: APTYIBHTLARFEV-UHFFFAOYSA-K