[3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[(Z)-1-oxooctadec-9-enoxy]-2-[1-oxo-4-(1-pyrenyl)butoxy]propyl] ester IUPAC Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] ester Formula: C59H86O6 MolecularWeight: 891.31054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCC1=C2C3=C(C=C1)C=CC4=C3C(=CC=C4)C=C2)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C59H86O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-55(60)63-47-53(48-64-56(61)39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)65-57(62)40-34-35-49-41-42-52-44-43-50-36-33-37-51-45-46-54(49)59(52)58(50)51/h17-20,33,36-37,41-46,53H,3-16,21-32,34-35,38-40,47-48H2,1-2H3/b19-17-,20-18-