6-[(E)-2-[6-cyclohexyl-8-(4-fluoranyl-3-methyl-phenyl)spiro[3.5]nona-6,8-dien-9-yl]ethenyl]oxan-2-one

Systemtic Name: 6-[(E)-2-[6-cyclohexyl-8-(4-fluoranyl-3-methyl-phenyl)spiro[3.5]nona-6,8-dien-9-yl]ethenyl]oxan-2-one Openeye Name: 6-[(E)-2-[6-cyclohexyl-8-(4-fluoro-3-methyl-phenyl)spiro[3.5]nona-6,8-dien-9-yl]vinyl]tetrahydropyran-2-one CAS Name: 6-[(E)-2-[6-cyclohexyl-8-(4-fluoro-3-methylphenyl)-9-spiro[3.5]nona-6,8-dienyl]ethenyl]-2-oxanone IUPAC Name: 6-[(E)-2-[6-cyclohexyl-8-(4-fluoro-3-methylphenyl)spiro[3.5]nona-6,8-dien-9-yl]ethenyl]oxan-2-one Traditional Name: 6-[(E)-2-[6-cyclohexyl-8-(4-fluoro-3-methyl-phenyl)spiro[3.5]nona-6,8-dien-9-yl]vinyl]tetrahydropyran-2-one Formula: C29H35FO2 MolecularWeight: 434.585403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C3(CCC3)CC(=C2)C4CCCCC4)C=CC5CCCC(=O)O5)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C3(CCC3)CC(=C2)C4CCCCC4)/C=C/C5CCCC(=O)O5)F

InChI

InChI=1S/C29H35FO2/c1-20-17-22(11-14-27(20)30)25-18-23(21-7-3-2-4-8-21)19-29(15-6-16-29)26(25)13-12-24-9-5-10-28(31)32-24/h11-14,17-18,21,24H,2-10,15-16,19H2,1H3/b13-12+