6-[(E)-2-[2-(4-ethylsulfanyl-3-fluoranyl-phenyl)-6,6-dimethyl-4-propoxy-cyclohex-2-en-1-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[(E)-2-[2-(4-ethylsulfanyl-3-fluoranyl-phenyl)-6,6-dimethyl-4-propoxy-cyclohex-2-en-1-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[(E)-2-[2-(4-ethylsulfanyl-3-fluoro-phenyl)-6,6-dimethyl-4-propoxy-cyclohex-2-en-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[(E)-2-[2-[4-(ethylthio)-3-fluorophenyl]-6,6-dimethyl-4-propoxy-1-cyclohex-2-enyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[(E)-2-[2-(4-ethylsulfanyl-3-fluorophenyl)-6,6-dimethyl-4-propoxycyclohex-2-en-1-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 6-[(E)-2-[2-[4-(ethylthio)-3-fluoro-phenyl]-6,6-dimethyl-4-propoxy-cyclohex-2-en-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C26H35FO4S MolecularWeight: 462.617103

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CC(C(C(=C1)C2=CC(=C(C=C2)SCC)F)C=CC3CC(CC(=O)O3)O)(C)C

Isomeric SMILES

CCCOC1CC(C(C(=C1)C2=CC(=C(C=C2)SCC)F)/C=C/C3CC(CC(=O)O3)O)(C)C

InChI

InChI=1S/C26H35FO4S/c1-5-11-30-20-15-21(17-7-10-24(32-6-2)23(27)12-17)22(26(3,4)16-20)9-8-19-13-18(28)14-25(29)31-19/h7-10,12,15,18-20,22,28H,5-6,11,13-14,16H2,1-4H3/b9-8+