ethyl (E)-7-[(1R,5S)-5-octyl-2-oxidanyl-2-phenyl-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,5S)-5-octyl-2-oxidanyl-2-phenyl-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,5S)-2-hydroxy-5-octyl-2-phenyl-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,5S)-2-hydroxy-5-octyl-2-phenylcyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,5S)-2-hydroxy-5-octyl-2-phenylcyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,5S)-2-hydroxy-5-octyl-2-phenyl-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(C1CCCCC=CC(=O)OCC)(C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C28H44O3/c1-3-5-6-7-8-12-17-24-22-23-28(30,25-18-13-11-14-19-25)26(24)20-15-9-10-16-21-27(29)31-4-2/h11,13-14,16,18-19,21,24,26,30H,3-10,12,15,17,20,22-23H2,1-2H3/b21-16+/t24-,26+,28?/m0/s1