1,3-di(hexadecanoyloxy)propan-2-yl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 1,3-di(hexadecanoyloxy)propan-2-yl (9E,12E)-octadeca-9,12-dienoate Openeye Name: [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester IUPAC Name: 1,3-di(hexadecanoyloxy)propan-2-yl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] ester Formula: C53H98O6 MolecularWeight: 831.34162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+