ethyl (E)-7-[(1R,2S)-2-(4-methoxy-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,2S)-2-(4-methoxy-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S)-2-(3-hydroxy-4-methoxy-octyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(3-hydroxy-4-methoxyoctyl)-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S)-2-(3-hydroxy-4-methoxyoctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(3-hydroxy-4-methoxy-octyl)-5-keto-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C23H40O5 MolecularWeight: 396.5607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCC1CCC(=O)C1CCCCC=CC(=O)OCC)O)OC

Isomeric SMILES

CCCCC(C(CC[C@H]1CCC(=O)[C@@H]1CCCC/C=C/C(=O)OCC)O)OC

InChI

InChI=1S/C23H40O5/c1-4-6-12-22(27-3)21(25)17-15-18-14-16-20(24)19(18)11-9-7-8-10-13-23(26)28-5-2/h10,13,18-19,21-22,25H,4-9,11-12,14-17H2,1-3H3/b13-10+/t18-,19-,21?,22?/m1/s1