3-Benzyl-2-[3-[3-Benzyl-3H-Benzoxazol-2-Ylidene]Prop-1-Enyl]Benzoxazolium Bromide
[CAS# 53167-78-5]

Identification

• Name: 3-Benzyl-2-[3-[3-Benzyl-3H-Benzoxazol-2-Ylidene]Prop-1-Enyl]Benzoxazolium Bromide
• Synonyms: (2Z)-3-(Phenylmethyl)-2-[(E)-3-[3-(Phenylmethyl)-2H-1,3-Benzoxazol-1-Ium-2-Yl]Prop-2-Enylidene]-1,3-Benzoxazole Bromide; 3-Benzyl-2-(3-(3-Benzyl-3H-Benzoxazol-2-Ylidene)Prop-1-Enyl)Benzoxazolium Bromide
• Molecular Formula: C₃₁H₂₇BrN₂O₂
• Molecular Weight: 539.47
• CAS Registry Number: 53167-78-5
• EINECS: 258-406-0
• SMILES: [OH+]1C(N(C2=CC=CC=C12)CC3=CC=CC=C3)\C=C\C=C5/OC4=CC=CC=C4N5CC6=CC=CC=C6.[Br-]
• InChI: 1S/C31H26N2O2.BrH/c1-3-12-24(13-4-1)22-32-26-16-7-9-18-28(26)34-30(32)20-11-21-31-33(23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)35-31;/h1-21,30H,22-23H2;1H/b20-11+,31-21-
• InChIKey: XAMCNLHMEFSIGB-SVYHMUKSSA-N