3,3'-Dioctadecylindocarbocyanine
[CAS# 40957-95-7]

Identification

• Name: 3,3'-Dioctadecylindocarbocyanine
• Synonyms: 2-[(E,3E)-3-(3,3-Dimethyl-1-Octadecyl-Indolin-2-Ylidene)Prop-1-Enyl]-3,3-Dimethyl-1-Octadecyl-Indol-1-Ium; 2-[(E,3E)-3-(3,3-Dimethyl-1-Octadecyl-2-Indolinylidene)Prop-1-Enyl]-3,3-Dimethyl-1-Octadecylindol-1-Ium; 2-[(E,3E)-3-(3,3-Dimethyl-1-Stearyl-Indolin-2-Ylidene)Prop-1-Enyl]-3,3-Dimethyl-1-Stearyl-Indol-1-Ium
• Molecular Formula: C₅₉H₉₇N₂
• Molecular Weight: 834.43
• CAS Registry Number: 40957-95-7
• SMILES: C2=C1C(C(=[N+](C1=CC=C2)CCCCCCCCCCCCCCCCCC)C=C/C=C4/N(C3=CC=CC=C3C4(C)C)CCCCCCCCCCCCCCCCCC)(C)C
• InChI: 1S/C59H97N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3/q+1
• InChIKey: IJRJBQGVWNVZSA-UHFFFAOYSA-N