Direct Blue 98
[CAS# 6656-03-7]

Identification

• Name: Direct Blue 98
• Synonyms: Dicopper Trisodium 7-[4-[4-[(6-Anilino-3-Oxido-1-Sulfonato-2-Naphthyl)Azo]-3-Oxido-Phenyl]-2-Oxido-Phenyl]Azo-8-Oxido-Naphthalene-1,6-Disulfonate; Dicopper Trisodium 7-[4-[4-[(6-Anilino-3-Oxido-1-Sulfonato-2-Naphthyl)Azo]-3-Oxidophenyl]-2-Oxidophenyl]Azo-8-Oxidonaphthalene-1,6-Disulfonate; Dicupric Trisodium 7-[4-[4-[(6-Anilino-3-Oxido-1-Sulfonato-2-Naphthyl)Azo]-3-Oxido-Phenyl]-2-Oxido-Phenyl]Azo-8-Oxido-Naphthalene-1,6-Disulfonate
• Molecular Formula: C₃₈H₂₀Cu₂N₅Na₃O₁₃S₃
• Molecular Weight: 1046.84
• CAS Registry Number: 6656-03-7
• EINECS: 229-687-7
• SMILES: [Cu++]|2|[O-]C4=C(N=NC1=C([S]([O-])(=O)=O)C=C3C(=C1[O-]|2)C(=CC=C3)[S]([O-])(=O)=O)C=CC(=C4)C9=CC5=C(N=NC6=C([O-]|[Cu++]|[O-]5)C=C7C(=C6[S]([O-])(=O)=O)C=CC(=C7)NC8=CC=CC=C8)C=C9.[Na+].[Na+].[Na+]
• InChI: 1S/C38H27N5O13S3.2Cu.3Na/c44-29-16-20(9-13-27(29)40-42-35-31(46)18-23-15-25(39-24-6-2-1-3-7-24)11-12-26(23)38(35)59(54,55)56)21-10-14-28(30(45)17-21)41-43-36-33(58(51,52)53)19-22-5-4-8-32(57(48,49)50)34(22)37(36)47;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7
• InChIKey: IRWUMMUGRKYWDG-UHFFFAOYSA-G