4-[(10E,13E)-2-oxidanylnonadeca-10,13-dienyl]-3-(phenylmethyl)oxetan-2-one

Systemtic Name: 4-[(10E,13E)-2-oxidanylnonadeca-10,13-dienyl]-3-(phenylmethyl)oxetan-2-one Openeye Name: 3-benzyl-4-[(10E,13E)-2-hydroxynonadeca-10,13-dienyl]oxetan-2-one CAS Name: 4-[(10E,13E)-2-hydroxynonadeca-10,13-dienyl]-3-(phenylmethyl)-2-oxetanone IUPAC Name: 3-benzyl-4-[(10E,13E)-2-hydroxynonadeca-10,13-dienyl]oxetan-2-one Traditional Name: 3-benzyl-4-[(10E,13E)-2-hydroxynonadeca-10,13-dienyl]oxetan-2-one Formula: C29H44O3 MolecularWeight: 440.65786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(CC1C(C(=O)O1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(CC1C(C(=O)O1)CC2=CC=CC=C2)O

InChI

InChI=1S/C29H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(30)24-28-27(29(31)32-28)23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21,26-28,30H,2-5,8,11-15,19,22-24H2,1H3/b7-6+,10-9+