[(4E,6E)-2-(hexadecanoyloxymethyl)-3-oxidanylidene-octa-4,6-dienyl] hexadecanoate

Systemtic Name: [(4E,6E)-2-(hexadecanoyloxymethyl)-3-oxidanylidene-octa-4,6-dienyl] hexadecanoate Openeye Name: [(4E,6E)-2-(hexadecanoyloxymethyl)-3-oxo-octa-4,6-dienyl] hexadecanoate CAS Name: hexadecanoic acid [(4E,6E)-3-oxo-2-(1-oxohexadecoxymethyl)octa-4,6-dienyl] ester IUPAC Name: [(4E,6E)-2-(hexadecanoyloxymethyl)-3-oxoocta-4,6-dienyl] hexadecanoate Traditional Name: palmitic acid [(4E,6E)-2-(hexadecanoyloxymethyl)-3-keto-octa-4,6-dienyl] ester Formula: C41H74O5 MolecularWeight: 647.02326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)C(=O)C=CC=CC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)C(=O)/C=C/C=C/C

InChI

InChI=1S/C41H74O5/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-34-40(43)45-36-38(39(42)33-30-9-6-3)37-46-41(44)35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h6,9,30,33,38H,4-5,7-8,10-29,31-32,34-37H2,1-3H3/b9-6+,33-30+