5-Phenyl-2-[2-[(5-Phenyl-3-Propyl-3H-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-3-Propylbenzoxazolium Iodide
[CAS# 84455-39-0]

Identification

• Name: 5-Phenyl-2-[2-[(5-Phenyl-3-Propyl-3H-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-3-Propylbenzoxazolium Iodide
• Synonyms: (2Z)-5-Phenyl-2-[(2E)-2-[(5-Phenyl-3-Propyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Methylene]Butylidene]-3-Propyl-1,3-Benzoxazole Iodide; (2Z)-2-[(E)-2-Ethyl-3-(5-Phenyl-3-Propyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]-5-Phenyl-3-Propyl-1,3-Benzoxazole Iodide; 5-Phenyl-2-(2-((5-Phenyl-3-Propyl-3H-Benzoxazol-2-Ylidene)Methyl)But-1-Enyl)-3-Propylbenzoxazolium Iodide
• Molecular Formula: C₃₇H₃₉IN₂O₂
• Molecular Weight: 670.63
• CAS Registry Number: 84455-39-0
• EINECS: 282-901-0
• SMILES: [OH+]1C(N(C2=C1C=CC(=C2)C3=CC=CC=C3)CCC)\C=C(CC)\C=C4/OC5=C(N4CCC)C=C(C=C5)C6=CC=CC=C6.[I-]
• InChI: 1S/C37H38N2O2.HI/c1-4-21-38-32-25-30(28-13-9-7-10-14-28)17-19-34(32)40-36(38)23-27(6-3)24-37-39(22-5-2)33-26-31(18-20-35(33)41-37)29-15-11-8-12-16-29;/h7-20,23-26,36H,4-6,21-22H2,1-3H3;1H/b27-23+,37-24-
• InChIKey: NSLCNRMTNYDXHI-TTYLRLHQSA-N