5,5-dimethyl-3-oxidanyl-2-(1-phenylsulfanylbutyl)cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-oxidanyl-2-(1-phenylsulfanylbutyl)cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-(1-phenylsulfanylbutyl)cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[1-(phenylthio)butyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(1-phenylsulfanylbutyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[1-(phenylthio)butyl]cyclohex-2-en-1-one Formula: C18H24O2S MolecularWeight: 304.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(CC(CC1=O)(C)C)O)SC2=CC=CC=C2

Isomeric SMILES

CCCC(C1=C(CC(CC1=O)(C)C)O)SC2=CC=CC=C2

InChI

InChI=1S/C18H24O2S/c1-4-8-16(21-13-9-6-5-7-10-13)17-14(19)11-18(2,3)12-15(17)20/h5-7,9-10,16,19H,4,8,11-12H2,1-3H3