ethyl (Z)-7-[2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]-2-phenyl-hept-2-enoate

Systemtic Name: ethyl (Z)-7-[2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]-2-phenyl-hept-2-enoate Openeye Name: ethyl (Z)-7-[2-(3-hydroxyoctyl)-5-oxo-cyclopentyl]-2-phenyl-hept-2-enoate CAS Name: (Z)-7-[2-(3-hydroxyoctyl)-5-oxocyclopentyl]-2-phenyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (Z)-7-[2-(3-hydroxyoctyl)-5-oxocyclopentyl]-2-phenylhept-2-enoate Traditional Name: (Z)-7-[2-(3-hydroxyoctyl)-5-keto-cyclopentyl]-2-phenyl-hept-2-enoic acid ethyl ester Formula: C28H42O4 MolecularWeight: 442.63068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCC=C(C2=CC=CC=C2)C(=O)OCC)O

Isomeric SMILES

CCCCCC(CCC1CCC(=O)C1CCCC/C=C(/C2=CC=CC=C2)\C(=O)OCC)O

InChI

InChI=1S/C28H42O4/c1-3-5-8-15-24(29)20-18-23-19-21-27(30)25(23)16-11-7-12-17-26(28(31)32-4-2)22-13-9-6-10-14-22/h6,9-10,13-14,17,23-25,29H,3-5,7-8,11-12,15-16,18-21H2,1-2H3/b26-17-