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

Systemtic Name: [(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-octanoyloxy-ethyl] octanoate Openeye Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-octanoyloxy-ethyl] octanoate CAS Name: octanoic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-(1-oxooctoxy)ethyl] ester IUPAC Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-octanoyloxyethyl] octanoate Traditional Name: caprylic acid [(2S)-2-caprylyloxy-2-[(2R)-4,5-dihydroxy-3-keto-2-furyl]ethyl] ester Formula: C22H36O8 MolecularWeight: 428.51644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O8/c1-3-5-7-9-11-13-17(23)28-15-16(21-19(25)20(26)22(27)30-21)29-18(24)14-12-10-8-6-4-2/h16,21,26-27H,3-15H2,1-2H3/t16-,21+/m0/s1