[4,5,6,7,8-penta(octanoyloxy)phenanthren-3-yl] octanoate

Systemtic Name: [4,5,6,7,8-penta(octanoyloxy)phenanthren-3-yl] octanoate Openeye Name: [4,5,6,7,8-penta(octanoyloxy)-3-phenanthryl] octanoate CAS Name: octanoic acid [4,5,6,7,8-pentakis(1-oxooctoxy)-3-phenanthrenyl] ester IUPAC Name: [4,5,6,7,8-penta(octanoyloxy)phenanthren-3-yl] octanoate Traditional Name: caprylic acid (4,5,6,7,8-pentacaprylyloxy-3-phenanthryl) ester Formula: C62H94O12 MolecularWeight: 1031.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C2=C(C=CC3=C2C(=C(C(=C3OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)C=C1)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C2=C(C=CC3=C2C(=C(C(=C3OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)C=C1)OC(=O)CCCCCCC

InChI

InChI=1S/C62H94O12/c1-7-13-19-25-31-37-50(63)69-49-46-44-47-43-45-48-57(56(47)59(49)71-52(65)39-33-27-21-15-9-3)60(72-53(66)40-34-28-22-16-10-4)62(74-55(68)42-36-30-24-18-12-6)61(73-54(67)41-35-29-23-17-11-5)58(48)70-51(64)38-32-26-20-14-8-2/h43-46H,7-42H2,1-6H3