3,3'-Dioctadecyloxacarbocyanine
[CAS# 68006-80-4]

Identification

• Name: 3,3'-Dioctadecyloxacarbocyanine
• Synonyms: 3-Stearyl-2-[(1E,3E,5Z)-5-(3-Stearyl-1,3-Benzoxazol-2-Ylidene)Penta-1,3-Dienyl]-1,3-Benzoxazol-3-Ium Iodide; Benzoxazolium, 3-Octadecyl-2-(5-(3-Oxtadecyl-2(3H)-Benzoxazolylidene)-1,3-Pentadienyl)-, Iodide; Dio-3,3'
• Molecular Formula: C₅₅H₈₇IN₂O₂
• Molecular Weight: 935.21
• CAS Registry Number: 68006-80-4
• SMILES: C2=C1[N+](=C(OC1=CC=C2)C=C\C=C\C=C4/OC3=CC=CC=C3N4CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[I-]
• InChI: 1S/C55H87N2O2.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40-48-56-50-42-36-38-44-52(50)58-54(56)46-34-33-35-47-55-57(51-43-37-39-45-53(51)59-55)49-41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-39,42-47H,3-32,40-41,48-49H2,1-2H3;1H/q+1;/p-1
• InChIKey: HKAANVVRQIPXER-UHFFFAOYSA-M