methyl 8-[(3S,6S)-6-hexyloxan-3-yl]octanoate

Systemtic Name: methyl 8-[(3S,6S)-6-hexyloxan-3-yl]octanoate Openeye Name: methyl 8-[(3S,6S)-6-hexyltetrahydropyran-3-yl]octanoate CAS Name: 8-[(3S,6S)-6-hexyl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(3S,6S)-6-hexyloxan-3-yl]octanoate Traditional Name: 8-[(3S,6S)-6-hexyltetrahydropyran-3-yl]caprylic acid methyl ester Formula: C20H38O3 MolecularWeight: 326.51392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CO1)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCC[C@H]1CC[C@@H](CO1)CCCCCCCC(=O)OC

InChI

InChI=1S/C20H38O3/c1-3-4-5-10-13-19-16-15-18(17-23-19)12-9-7-6-8-11-14-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19-/m0/s1