[6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] hexadecanoate

Systemtic Name: [6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] hexadecanoate Openeye Name: [6-(hydroxymethyl)-4-oxo-pyran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [6-(hydroxymethyl)-4-oxo-3-pyranyl] ester IUPAC Name: [6-(hydroxymethyl)-4-oxopyran-3-yl] hexadecanoate Traditional Name: palmitic acid (4-keto-6-methylol-pyran-3-yl) ester Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=COC(=CC1=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=COC(=CC1=O)CO

InChI

InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)27-21-18-26-19(17-23)16-20(21)24/h16,18,23H,2-15,17H2,1H3