[(E)-3-oxidanylideneoct-1-enyl] (E)-7-(2-fluoranyl-1-methyl-4-phenyl-cyclopentyl)hept-5-enoate

Systemtic Name: [(E)-3-oxidanylideneoct-1-enyl] (E)-7-(2-fluoranyl-1-methyl-4-phenyl-cyclopentyl)hept-5-enoate Openeye Name: [(E)-3-oxooct-1-enyl] (E)-7-(2-fluoro-1-methyl-4-phenyl-cyclopentyl)hept-5-enoate CAS Name: (E)-7-(2-fluoro-1-methyl-4-phenylcyclopentyl)-5-heptenoic acid [(E)-3-oxooct-1-enyl] ester IUPAC Name: [(E)-3-oxooct-1-enyl] (E)-7-(2-fluoro-1-methyl-4-phenylcyclopentyl)hept-5-enoate Traditional Name: (E)-7-(2-fluoro-1-methyl-4-phenyl-cyclopentyl)hept-5-enoic acid [(E)-3-ketooct-1-enyl] ester Formula: C27H37FO3 MolecularWeight: 428.579283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=COC(=O)CCCC=CCC1(CC(CC1F)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(=O)/C=C/OC(=O)CCC/C=C/CC1(CC(CC1F)C2=CC=CC=C2)C

InChI

InChI=1S/C27H37FO3/c1-3-4-8-15-24(29)17-19-31-26(30)16-11-5-6-12-18-27(2)21-23(20-25(27)28)22-13-9-7-10-14-22/h6-7,9-10,12-14,17,19,23,25H,3-5,8,11,15-16,18,20-21H2,1-2H3/b12-6+,19-17+