3,6-Bis(Diethylamino)-9-[2-[(Octadecyloxy)Carbonyl]Phenyl]-Xanthylium Chloride (1:1)
[CAS# 65603-19-2]

Identification

• Name: 3,6-Bis(Diethylamino)-9-[2-[(Octadecyloxy)Carbonyl]Phenyl]-Xanthylium Chloride (1:1)
• Synonyms: [6-Diethylamino-9-(2-Octadecoxycarbonylphenyl)Xanthen-3-Ylidene]-Diethyl-Ammonium Chloride; [6-Diethylamino-9-[2-(Octadecoxy-Oxomethyl)Phenyl]-3-Xanthenylidene]-Diethylammonium Chloride; [6-Diethylamino-9-(2-Stearyloxycarbonylphenyl)Xanthen-3-Ylidene]-Diethyl-Ammonium Chloride
• Molecular Formula: C₄₆H₆₇ClN₂O₃
• Molecular Weight: 731.50
• CAS Registry Number: 65603-19-2
• SMILES: [O+]1=C4C(=C(C2=C1C=C(N(CC)CC)C=C2)C3=C(C=CC=C3)C(OCCCCCCCCCCCCCCCCCC)=O)C=CC(=C4)N(CC)CC.[Cl-]
• InChI: 1S/C46H67N2O3.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-50-46(49)40-29-26-25-28-39(40)45-41-32-30-37(47(7-2)8-3)35-43(41)51-44-36-38(31-33-42(44)45)48(9-4)10-5;/h25-26,28-33,35-36H,6-24,27,34H2,1-5H3;1H/q+1;/p-1
• InChIKey: NFGODEMQGQNUKK-UHFFFAOYSA-M