[(1S)-1-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] hexadecanoate

Systemtic Name: [(1S)-1-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] hexadecanoate Openeye Name: [(1S)-1-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-hydroxy-ethyl] hexadecanoate CAS Name: hexadecanoic acid [(1S)-1-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-hydroxyethyl] ester IUPAC Name: [(1S)-1-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-hydroxyethyl] hexadecanoate Traditional Name: palmitic acid [(1S)-1-[(2R)-4,5-dihydroxy-3-keto-2-furyl]-2-hydroxy-ethyl] ester Formula: C22H38O7 MolecularWeight: 414.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)C1C(=O)C(=C(O1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H]1C(=O)C(=C(O1)O)O

InChI

InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-17(16-23)21-19(25)20(26)22(27)29-21/h17,21,23,26-27H,2-16H2,1H3/t17-,21+/m0/s1