cyclopent-2-en-1-one; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid

Systemtic Name: cyclopent-2-en-1-one; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid Openeye Name: cyclopent-2-en-1-one; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid CAS Name: 1-cyclopent-2-enone; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid IUPAC Name: cyclopent-2-en-1-one; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid Traditional Name: cyclopent-2-en-1-one; (2E,4E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-2,4-dienoic acid Formula: C25H40O3 MolecularWeight: 388.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCCC1CCC=CC=CC(=O)O.C1CC(=O)C=C1

Isomeric SMILES

CCCCCCCC[C@H]1CCC[C@@H]1CC/C=C/C=C/C(=O)O.C1CC(=O)C=C1

InChI

InChI=1S/C20H34O2.C5H6O/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22;6-5-3-1-2-4-5/h7-8,11,17-19H,2-6,9-10,12-16H2,1H3,(H,21,22);1,3H,2,4H2/b8-7+,17-11+;/t18-,19-;/m0./s1