Tetrasodium (6Z)-4-Amino-3-[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Diazenyl-6-[(2,5-Disulfonatophenyl)Hydrazinylidene]-5-Oxonaphthalene-2,7-Disulfonate
[CAS# 75198-89-9]

Identification

• Name: Tetrasodium (6Z)-4-Amino-3-[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Diazenyl-6-[(2,5-Disulfonatophenyl)Hydrazinylidene]-5-Oxonaphthalene-2,7-Disulfonate
• Synonyms: Tetrasodium (6Z)-4-Amino-3-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (6Z)-4-Amino-3-[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Oxonaphthalene-2,7-Disulfonate; Tetrasodium (6Z)-4-Amino-3-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₆H₁₃ClF₂N₈Na₄O₁₃S₄
• Molecular Weight: 939.08
• CAS Registry Number: 75198-89-9
• SMILES: C1=C5C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC3=CC=C(NC2=C(Cl)C(=NC(=N2)F)F)C=C3)C(=O)C(=N/NC4=C([S]([O-])(=O)=O)C=CC(=C4)[S]([O-])(=O)=O)/C(=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C26H17ClF2N8O13S4.4Na/c27-19-24(28)32-26(29)33-25(19)31-11-1-3-12(4-2-11)34-36-21-16(53(45,46)47)7-10-8-17(54(48,49)50)22(23(38)18(10)20(21)30)37-35-14-9-13(51(39,40)41)5-6-15(14)52(42,43)44;;;;/h1-9,35H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4/b36-34?,37-22+
• InChIKey: ZNNHLIYGACCCIR-RXYIFTMASA-J