4-Amino-6-[[5-[(5-Chloro- 2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-2-Sulfophenyl ]Azo]-3-[(2,5-Disulfophenyl)Azo]-5-Hydroxy-2,7-Naphthalenedisulfonic Acid Potassium Sodium Salt
[CAS# 99129-26-7]

Identification

• Name: 4-Amino-6-[[5-[(5-Chloro- 2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-2-Sulfophenyl ]Azo]-3-[(2,5-Disulfophenyl)Azo]-5-Hydroxy-2,7-Naphthalenedisulfonic Acid Potassium Sodium Salt
• Synonyms: Tripotassium Disodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-6-(2,5-Disulfonatophenyl)Azo-4-Oxo-Naphthalene-2,7-Disulfonate; Tripotassium Disodium (3Z)-5-Amino-3-[[5-[(5-Chloro-2-Fluoro-6-Methyl-
• Molecular Formula: C₂₇H₁₅ClFK₃N₈Na₂O₁₆S₅
• Molecular Weight: 1085.48
• CAS Registry Number: 99129-26-7
• SMILES: FC1=NC(=C(Cl)C(=N1)NC2=CC(=C([S]([O-])(=O)=O)C=C2)N\N=C5/C(=CC4=CC(=C(N=NC3=C([S]([O-])(=O)=O)C=CC(=C3)[S]([O-])(=O)=O)C(=C4C5=O)N)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C.[K+].[Na+].[K+].[K+].[Na+]
• InChI: 1S/C27H20ClFN8O16S5.3K.2Na/c1-10-21(28)26(33-27(29)31-10)32-12-2-4-16(55(42,43)44)14(8-12)34-37-24-19(58(51,52)53)7-11-6-18(57(48,49)50)23(22(30)20(11)25(24)38)36-35-15-9-13(54(39,40)41)3-5-17(15)56(45,46)47;;;;;/h2-9,34H,30H2,1H3,(H,31,32,33)(H,39,40,41)
• InChIKey: MKNGCASGQCPLRD-DLQWCLQESA-I