[1-(furan-3-yl)-5,6-bis(oxidanyl)hexyl] octanoate

Systemtic Name: [1-(furan-3-yl)-5,6-bis(oxidanyl)hexyl] octanoate Openeye Name: [1-(3-furyl)-5,6-dihydroxy-hexyl] octanoate CAS Name: octanoic acid [1-(3-furanyl)-5,6-dihydroxyhexyl] ester IUPAC Name: [1-(furan-3-yl)-5,6-dihydroxyhexyl] octanoate Traditional Name: caprylic acid [1-(3-furyl)-5,6-dihydroxy-hexyl] ester Formula: C18H30O5 MolecularWeight: 326.4278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CCCC(CO)O)C1=COC=C1

Isomeric SMILES

CCCCCCCC(=O)OC(CCCC(CO)O)C1=COC=C1

InChI

InChI=1S/C18H30O5/c1-2-3-4-5-6-10-18(21)23-17(15-11-12-22-14-15)9-7-8-16(20)13-19/h11-12,14,16-17,19-20H,2-10,13H2,1H3