3-hexyl-4-[(10E,13E)-2-(oxan-2-yl)nonadeca-10,13-dienyl]oxetan-2-one

Systemtic Name: 3-hexyl-4-[(10E,13E)-2-(oxan-2-yl)nonadeca-10,13-dienyl]oxetan-2-one Openeye Name: 3-hexyl-4-[(10E,13E)-2-tetrahydropyran-2-ylnonadeca-10,13-dienyl]oxetan-2-one CAS Name: 3-hexyl-4-[(10E,13E)-2-(2-oxanyl)nonadeca-10,13-dienyl]-2-oxetanone IUPAC Name: 3-hexyl-4-[(10E,13E)-2-(oxan-2-yl)nonadeca-10,13-dienyl]oxetan-2-one Traditional Name: 3-hexyl-4-[(10E,13E)-2-tetrahydropyran-2-ylnonadeca-10,13-dienyl]oxetan-2-one Formula: C33H58O3 MolecularWeight: 502.81182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(CCCCCCCC=CCC=CCCCCC)C2CCCCO2

Isomeric SMILES

CCCCCCC1C(OC1=O)CC(CCCCCCC/C=C/C/C=C/CCCCC)C2CCCCO2

InChI

InChI=1S/C33H58O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-29(31-26-22-23-27-35-31)28-32-30(33(34)36-32)25-21-8-6-4-2/h10-11,13-14,29-32H,3-9,12,15-28H2,1-2H3/b11-10+,14-13+