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

Systemtic Name: 5,5-dimethyl-2-(2-methylpropylsulfanyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-isobutylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-(2-methylpropylthio)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(2-methylpropylsulfanyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-(isobutylthio)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(CC(CC1=O)(C)C)O

Isomeric SMILES

CC(C)CSC1=C(CC(CC1=O)(C)C)O

InChI

InChI=1S/C12H20O2S/c1-8(2)7-15-11-9(13)5-12(3,4)6-10(11)14/h8,13H,5-7H2,1-4H3