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

Systemtic Name: [(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] octanoate Openeye Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-hydroxy-ethyl] octanoate CAS Name: octanoic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-hydroxyethyl] ester IUPAC Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-hydroxyethyl] octanoate Traditional Name: caprylic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-keto-2-furyl]-2-hydroxy-ethyl] ester Formula: C14H22O7 MolecularWeight: 302.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)O

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O

InChI

InChI=1S/C14H22O7/c1-2-3-4-5-6-7-10(16)20-8-9(15)13-11(17)12(18)14(19)21-13/h9,13,15,18-19H,2-8H2,1H3/t9-,13+/m0/s1