Trisodium 6-Amino-5-[5-[[5-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Amino]-2-Sulfonatophenyl]Diazenylnaphthalene-1-Sulfonate
[CAS# 72152-51-3]

Identification

• Name: Trisodium 6-Amino-5-[5-[[5-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Amino]-2-Sulfonatophenyl]Diazenylnaphthalene-1-Sulfonate
• Synonyms: Trisodium 6-Amino-5-[5-[[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Amino]-2-Sulfonato-Phenyl]Azo-Naphthalene-1-Sulfonate; Trisodium 6-Amino-5-[5-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Sulfonatophenyl]Amino]-2-Sulfonatophenyl]Azo-1-Naphthalenesulfonate; Trisodium 6-Amino-5-[5-[[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Amino]-2-Sulfonato-Phenyl]Diazenyl-Naphthalene-1-Sulfonate
• Molecular Formula: C₂₆H₁₅ClF₂N₇Na₃O₉S₃
• Molecular Weight: 808.05
• CAS Registry Number: 72152-51-3
• EINECS: 276-405-3
• SMILES: C4=CC(=C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC2=CC(=CC=C2[S]([O-])(=O)=O)NC3=NC(=NC(=C3Cl)F)F)C5=CC=CC(=C45)[S]([O-])(=O)=O)N.[Na+].[Na+].[Na+]
• InChI: 1S/C26H18ClF2N7O9S3.3Na/c27-22-24(28)33-26(29)34-25(22)32-13-5-8-20(47(40,41)42)17(10-13)31-12-4-9-21(48(43,44)45)18(11-12)35-36-23-15-2-1-3-19(46(37,38)39)14(15)6-7-16(23)30;;;/h1-11,31H,30H2,(H,32,33,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3
• InChIKey: CQZKCYGIFGZYRT-UHFFFAOYSA-K