Directblue218
[CAS# 10401-50-0]

Identification

• Name: Directblue218
• Synonyms: Tetrasodium; (3E)-5-Amino-3-[[4-[4-[(N'e)-N'-(8-Amino-1-Oxo-3,6-Disulfonato-2-Naphthylidene)Hydrazino]-3-Hydroxy-Phenyl]-2-Hydroxy-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Copper; Tetrasodium; (3E)-5-Amino-3-[[4-[4-[(N'e)-N'-(8-Amino-1-Oxo-3,6-Disulfonato-2-Naphthylidene)Hydrazino]-3-Hydroxyphenyl]-2-Hydroxyphenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Copper
• Molecular Formula: C₃₂H₂₀Cu₂N₆Na₄O₁₆S₄
• Molecular Weight: 1091.83
• CAS Registry Number: 10401-50-0
• SMILES: [Cu]|2|O=C1C8=C(C=C([S]([O-])(=O)=O)/C1=N/NC7=C(O|2)C=C(C6=CC3=C(N\N=C\4C(=O|[Cu]|O3)C5=C(C=C4[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C5N)C=C6)C=C7)C=C([S]([O-])(=O)=O)C=C8N.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,35-36,39-40H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4/b37-29-,38-30-
• InChIKey: RIQIBKLXYRWFEJ-BRBBMYSQSA-J