Molecule ID: 20843328

IUPAC Name: (Z,11Z)-11-[(3S)-3-[(Z)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid

Description: The molecule is an octadecanoid that is (9Z,11Z,15Z)-octadecatrienoic acid having an epoxy group located across positions 12 and 13. It is an octadecanoid, a long-chain fatty acid, a polyunsaturated fatty acid and an epoxy fatty acid. It is a conjugate acid of a (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate.

SMILES: CC/C=C\C[C@@H]1O/C1=C\C=C/CCCCCCCC(=O)O

SELFIES: [C][C][/C][=C][\C][C@@H1][O][/C][Ring1][Ring1][=C][\C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14-/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.0