Trisodium 7-[[4-[[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]Azo]-5-Methoxy-2-Methylphenyl]Azo]Naphthalene-1,3,5-Trisulphonate
[CAS# 80573-11-1]

Identification

• Name: Trisodium 7-[[4-[[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]Azo]-5-Methoxy-2-Methylphenyl]Azo]Naphthalene-1,3,5-Trisulphonate
• Synonyms: Trisodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Azo-5-Methoxy-2-Methyl-Phenyl]Azonaphthalene-1,3,5-Trisulfonate; Trisodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]Azo-5-Methoxy-2-Methylphenyl]Azonaphthalene-1,3,5-Trisulfonate; Trisodium 7-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Diazenyl-5-Methoxy-2-Methyl-Phenyl]Diazenylnaphthalene-1,3,5-Trisulfonate
• Molecular Formula: C₂₈H₁₇ClF₂N₇Na₃O₁₀S₃
• Molecular Weight: 850.08
• CAS Registry Number: 80573-11-1
• EINECS: 279-496-8
• SMILES: C1=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C2=C1C(=CC(=C2)N=NC5=C(C=C(N=NC4=CC=C(NC3=NC(=NC(=C3Cl)F)F)C=C4)C(=C5)OC)C)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C28H20ClF2N7O10S3.3Na/c1-13-7-21(38-35-15-5-3-14(4-6-15)32-27-25(29)26(30)33-28(31)34-27)22(48-2)12-20(13)37-36-16-8-18-19(23(9-16)50(42,43)44)10-17(49(39,40)41)11-24(18)51(45,46)47;;;/h3-12H,1-2H3,(H,32,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3
• InChIKey: IVGYQZLICVKXEQ-UHFFFAOYSA-K