Pentasodium 4-Amino-3-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Sulphonatophenyl]Azo]-6-[(2,5-Disulphonatophenyl)Azo]-5-Hydroxynaphthalene-2,7-Disulphonate
[CAS# 69140-63-2]

Identification

• Name: Pentasodium 4-Amino-3-[[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Sulphonatophenyl]Azo]-6-[(2,5-Disulphonatophenyl)Azo]-5-Hydroxynaphthalene-2,7-Disulphonate
• Synonyms: Pentasodium (6Z)-4-Amino-3-[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Oxo-Naphthalene-2,7-Disulfonate; Pentasodium (6Z)-4-Amino-3-[5-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-2-Sulfonatophenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Oxonaphthalene-2,7-Disulfonate; Pentasodium (6Z)-4-Amino-3-[5-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Azo-6-[(2,5-Disulfonatophenyl)Hydrazono]-5-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₆H₁₂ClF₂N₈Na₅O₁₆S₅
• Molecular Weight: 1041.12
• CAS Registry Number: 69140-63-2
• EINECS: 273-894-5
• SMILES: C1=C5C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=C([S]([O-])(=O)=O)C=CC(=C2)NC3=C(Cl)C(=NC(=N3)F)F)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+].[Na+]
• InChI: 1S/C26H17ClF2N8O16S5.5Na/c27-19-24(28)32-26(29)33-25(19)31-10-1-3-14(55(42,43)44)12(7-10)34-36-21-16(57(48,49)50)5-9-6-17(58(51,52)53)22(23(38)18(9)20(21)30)37-35-13-8-11(54(39,40)41)2-4-15(13)56(45,46)47;;;;;/h1-8,35H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5/b36-34?,37-22+
• InChIKey: IBGDAHWSNDRDBF-RNCJRLRFSA-I