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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(OC(O1)C2=CC=CO2)C(CO)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(OC(O1)C2=CC=CO2)C(CO)O)O

InChI

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