Direct Blue 168
[CAS# 3818-60-8]

Identification

• Name: Direct Blue 168
• Synonyms: Disodium (3Z)-3-[[2-Methoxy-4-[3-Methoxy-4-[(N'z)-N'-(1-Oxo-4-Sulfonato-2-Naphthylidene)Hydrazino]Phenyl]Phenyl]Hydrazono]-4-Oxo-7-(Phenylamino)Naphthalene-2-Sulfonate; Disodium (3Z)-3-[[2-Methoxy-4-[3-Methoxy-4-[(N'z)-N'-(1-Oxo-4-Sulfonato-2-Naphthylidene)Hydrazino]Phenyl]Phenyl]Hydrazono]-4-Oxo-7-(Phenylamino)-2-Naphthalenesulfonate; Disodium (3Z)-4-Keto-3-[[4-[4-[(N'z)-N'-(1-Keto-4-Sulfonato-2-Naphthylidene)Hydrazino]-3-Methoxy-Phenyl]-2-Methoxy-Phenyl]Hydrazono]-7-(Phenylamino)Naphthalene-2-Sulfonate
• Molecular Formula: C₄₀H₂₉N₅Na₂O₁₀S₂
• Molecular Weight: 849.80
• CAS Registry Number: 3818-60-8
• EINECS: 223-308-9
• SMILES: C2=C(NC1=CC=CC=C1)C=CC7=C2C=C([S]([O-])(=O)=O)\C(=N/NC6=C(OC)C=C(C5=CC(=C(N\N=C4/C(=O)C3=CC=CC=C3C(=C4)[S]([O-])(=O)=O)C=C5)OC)C=C6)C7=O.[Na+].[Na+]
• InChI: 1S/C40H31N5O10S2.2Na/c1-54-34-19-23(12-16-31(34)42-44-33-22-36(56(48,49)50)29-10-6-7-11-30(29)39(33)46)24-13-17-32(35(20-24)55-2)43-45-38-37(57(51,52)53)21-25-18-27(14-15-28(25)40(38)47)41-26-8-4-3-5-9-26;;/h3-22,41-43H,1-2H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b44-33-,45-38+
• InChIKey: NBKOYFBOKSKWAB-ZQWNQXIISA-L