[2-[2-(furan-2-yl)-6-(hydroxymethyl)-5-oxidanyl-1,3-dioxan-4-yl]-2-oxidanyl-ethyl] octanoate

Systemtic Name: [2-[2-(furan-2-yl)-6-(hydroxymethyl)-5-oxidanyl-1,3-dioxan-4-yl]-2-oxidanyl-ethyl] octanoate Openeye Name: [2-[2-(2-furyl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]-2-hydroxy-ethyl] octanoate CAS Name: octanoic acid [2-[2-(2-furanyl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]-2-hydroxyethyl] ester IUPAC Name: [2-[2-(furan-2-yl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]-2-hydroxyethyl] octanoate Traditional Name: caprylic acid [2-[2-(2-furyl)-5-hydroxy-6-methylol-1,3-dioxan-4-yl]-2-hydroxy-ethyl] ester Formula: C19H30O8 MolecularWeight: 386.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C1C(C(OC(O1)C2=CC=CO2)CO)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC(C1C(C(OC(O1)C2=CC=CO2)CO)O)O

InChI

InChI=1S/C19H30O8/c1-2-3-4-5-6-9-16(22)25-12-13(21)18-17(23)15(11-20)26-19(27-18)14-8-7-10-24-14/h7-8,10,13,15,17-21,23H,2-6,9,11-12H2,1H3