[2-[5,5-bis(fluoranyl)-4-oxidanyl-octyl]-3-methyl-5-oxidanylidene-cyclopentyl] (E)-hept-5-enoate

Systemtic Name: [2-[5,5-bis(fluoranyl)-4-oxidanyl-octyl]-3-methyl-5-oxidanylidene-cyclopentyl] (E)-hept-5-enoate Openeye Name: [2-(5,5-difluoro-4-hydroxy-octyl)-3-methyl-5-oxo-cyclopentyl] (E)-hept-5-enoate CAS Name: (E)-5-heptenoic acid [2-(5,5-difluoro-4-hydroxyoctyl)-3-methyl-5-oxocyclopentyl] ester IUPAC Name: [2-(5,5-difluoro-4-hydroxyoctyl)-3-methyl-5-oxocyclopentyl] (E)-hept-5-enoate Traditional Name: (E)-hept-5-enoic acid [2-(5,5-difluoro-4-hydroxy-octyl)-5-keto-3-methyl-cyclopentyl] ester Formula: C21H34F2O4 MolecularWeight: 388.489066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCCC1C(CC(=O)C1OC(=O)CCCC=CC)C)O)(F)F

Isomeric SMILES

CCCC(C(CCCC1C(CC(=O)C1OC(=O)CCC/C=C/C)C)O)(F)F

InChI

InChI=1S/C21H34F2O4/c1-4-6-7-8-12-19(26)27-20-16(15(3)14-17(20)24)10-9-11-18(25)21(22,23)13-5-2/h4,6,15-16,18,20,25H,5,7-14H2,1-3H3/b6-4+