[11-octadecanoyloxy-3,10-bis(oxidanylidene)perylen-2-yl] octadecanoate

Systemtic Name: [11-octadecanoyloxy-3,10-bis(oxidanylidene)perylen-2-yl] octadecanoate Openeye Name: (11-octadecanoyloxy-3,10-dioxo-perylen-2-yl) octadecanoate CAS Name: octadecanoic acid [3,10-dioxo-11-(1-oxooctadecoxy)-2-perylenyl] ester IUPAC Name: (11-octadecanoyloxy-3,10-dioxoperylen-2-yl) octadecanoate Traditional Name: stearic acid (3,10-diketo-11-stearoyloxy-perylen-2-yl) ester Formula: C56H78O6 MolecularWeight: 847.21492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C3C(=C4C=CC=C5C4=C2C=C(C5=O)OC(=O)CCCCCCCCCCCCCCCCC)C=CC=C3C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C3C(=C4C=CC=C5C4=C2C=C(C5=O)OC(=O)CCCCCCCCCCCCCCCCC)C=CC=C3C1=O

InChI

InChI=1S/C56H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-51(57)61-49-41-47-48-42-50(62-52(58)40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)56(60)46-38-34-36-44(54(46)48)43-35-33-37-45(53(43)47)55(49)59/h33-38,41-42H,3-32,39-40H2,1-2H3