2-[(4-fluorophenyl)methylsulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(4-fluorophenyl)methylthio]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(4-fluorobenzyl)thio]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H17FO2S MolecularWeight: 280.357683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SCC2=CC=C(C=C2)F)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SCC2=CC=C(C=C2)F)O)C

InChI

InChI=1S/C15H17FO2S/c1-15(2)7-12(17)14(13(18)8-15)19-9-10-3-5-11(16)6-4-10/h3-6,17H,7-9H2,1-2H3