Direct Blue 158
[CAS# 6655-95-4]

Identification

• Name: Direct Blue 158
• Synonyms: Acetic Acid, 2,2'-((4,4'-Bis((1-Hydroxy-6-((4-Methoxyphenyl)Amino)-3-Sulfo-2-Naphthalenyl)Azo)(1,1'-Biphenyl)-3,3'-Diyl)Bis(Oxy))Bis-, Tetrasodiumsalt; Tetrasodium 2,2'-((4,4'-Bis((1-Hydroxy-6-((4-Methoxyphenyl)Amino)-3-Sulphonato-2-Naphthyl)Azo)(1,1'-Biphenyl)-3,3'-Diyl)Bis(Oxy))Diacetate
• Molecular Formula: C₅₀H₃₆N₆Na₄O₁₆S₂
• Molecular Weight: 1132.94
• CAS Registry Number: 6655-95-4
• EINECS: 229-683-5
• SMILES: C1=C([S](=O)(=O)[O-])C(=C(C3=C1C=C(NC2=CC=C(OC)C=C2)C=C3)O)N=NC8=C(C=C(C7=CC(=C(N=NC4=C(C6=C(C=C4[S](=O)(=O)[O-])C=C(NC5=CC=C(OC)C=C5)C=C6)O)C=C7)OCC(=O)[O-])C=C8)OCC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C50H40N6O16S2.4Na/c1-69-35-11-5-31(6-12-35)51-33-9-15-37-29(19-33)23-43(73(63,64)65)47(49(37)61)55-53-39-17-3-27(21-41(39)71-25-45(57)58)28-4-18-40(42(22-28)72-26-46(59)60)54-56-48-44(74(66,67)68)24-30-20-34(10-16-38(30)50(48)62)52-32-7-13-36(70-2)14-8-32;;;;/h3-24,51-52,61-62H,25-26H2,1-2H3,(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4
• InChIKey: VOKDSCNEKOORBR-UHFFFAOYSA-J