7-[(1S,2E)-2-[(E)-oct-2-enylidene]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoic acid

Systemtic Name: 7-[(1S,2E)-2-[(E)-oct-2-enylidene]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoic acid Openeye Name: 7-[(1S,2E)-2-[(E)-oct-2-enylidene]-5-oxo-cyclopent-3-en-1-yl]heptanoic acid CAS Name: 7-[(1S,2E)-2-[(E)-oct-2-enylidene]-5-oxo-1-cyclopent-3-enyl]heptanoic acid IUPAC Name: 7-[(1S,2E)-2-[(E)-oct-2-enylidene]-5-oxocyclopent-3-en-1-yl]heptanoic acid Traditional Name: 7-[(1S,5E)-2-keto-5-[(E)-oct-2-enylidene]cyclopent-3-en-1-yl]enanthic acid Formula: C20H30O3 MolecularWeight: 318.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O

Isomeric SMILES

CCCCC/C=C/C=C/1\C=CC(=O)[C@H]1CCCCCCC(=O)O

InChI

InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12+/t18-/m0/s1