[2-[4,5-bis(oxidanyl)-6-oxidanylidene-2,3-dihydrooxepin-3-yl]-2-oxidanyl-ethyl] hexadecanoate

Systemtic Name: [2-[4,5-bis(oxidanyl)-6-oxidanylidene-2,3-dihydrooxepin-3-yl]-2-oxidanyl-ethyl] hexadecanoate Openeye Name: [2-(4,5-dihydroxy-6-oxo-2,3-dihydrooxepin-3-yl)-2-hydroxy-ethyl] hexadecanoate CAS Name: hexadecanoic acid [2-(4,5-dihydroxy-6-oxo-2,3-dihydrooxepin-3-yl)-2-hydroxyethyl] ester IUPAC Name: [2-(4,5-dihydroxy-6-oxo-2,3-dihydrooxepin-3-yl)-2-hydroxyethyl] hexadecanoate Traditional Name: palmitic acid [2-(4,5-dihydroxy-6-keto-2,3-dihydrooxepin-3-yl)-2-hydroxy-ethyl] ester Formula: C24H42O7 MolecularWeight: 442.58608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C1COCC(=O)C(=C1O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C1COCC(=O)C(=C1O)O)O

InChI

InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)31-18-20(25)19-16-30-17-21(26)24(29)23(19)28/h19-20,25,28-29H,2-18H2,1H3