[(12E,15E)-2-hexadecanoyloxy-1-oxidanyl-henicosa-12,15-dien-3-yl] hexadecanoate

Systemtic Name: [(12E,15E)-2-hexadecanoyloxy-1-oxidanyl-henicosa-12,15-dien-3-yl] hexadecanoate Openeye Name: [(10E,13E)-1-(1-hexadecanoyloxy-2-hydroxy-ethyl)nonadeca-10,13-dienyl] hexadecanoate CAS Name: hexadecanoic acid [(12E,15E)-1-hydroxy-2-(1-oxohexadecoxy)heneicosa-12,15-dien-3-yl] ester IUPAC Name: [(12E,15E)-2-hexadecanoyloxy-1-hydroxyhenicosa-12,15-dien-3-yl] hexadecanoate Traditional Name: palmitic acid [(10E,13E)-1-(1-hexadecanoyloxy-2-hydroxy-ethyl)nonadeca-10,13-dienyl] ester Formula: C53H100O5 MolecularWeight: 817.3581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC=CCC=CCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC/C=C/C/C=C/CCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-27-30-31-34-37-40-43-46-50(57-52(55)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2)51(49-54)58-53(56)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3/h16,19,25-26,50-51,54H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+