[(3R,4S)-3-[(E)-7-ethoxy-7-oxidanylidene-hept-5-enyl]-4-octyl-2-oxidanylidene-cyclopentyl] benzoate

Systemtic Name: [(3R,4S)-3-[(E)-7-ethoxy-7-oxidanylidene-hept-5-enyl]-4-octyl-2-oxidanylidene-cyclopentyl] benzoate Openeye Name: [(3R,4S)-3-[(E)-7-ethoxy-7-oxo-hept-5-enyl]-4-octyl-2-oxo-cyclopentyl] benzoate CAS Name: benzoic acid [(3R,4S)-3-[(E)-7-ethoxy-7-oxohept-5-enyl]-4-octyl-2-oxocyclopentyl] ester IUPAC Name: [(3R,4S)-3-[(E)-7-ethoxy-7-oxohept-5-enyl]-4-octyl-2-oxocyclopentyl] benzoate Traditional Name: benzoic acid [(3R,4S)-3-[(E)-7-ethoxy-7-keto-hept-5-enyl]-2-keto-4-octyl-cyclopentyl] ester Formula: C29H42O5 MolecularWeight: 470.64078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(C(=O)C1CCCCC=CC(=O)OCC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[C@H]1CC(C(=O)[C@@H]1CCCC/C=C/C(=O)OCC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H42O5/c1-3-5-6-7-8-12-19-24-22-26(34-29(32)23-17-13-11-14-18-23)28(31)25(24)20-15-9-10-16-21-27(30)33-4-2/h11,13-14,16-18,21,24-26H,3-10,12,15,19-20,22H2,1-2H3/b21-16+/t24-,25+,26?/m0/s1