2-butanoyl-5,5-dimethyl-3-sulfanyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-sulfanyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5,5-dimethyl-3-sulfanyl-cyclohex-2-en-1-one CAS Name: 3-mercapto-5,5-dimethyl-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5,5-dimethyl-3-sulfanylcyclohex-2-en-1-one Traditional Name: 2-butyryl-3-mercapto-5,5-dimethyl-cyclohex-2-en-1-one Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)S

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)S

InChI

InChI=1S/C12H18O2S/c1-4-5-8(13)11-9(14)6-12(2,3)7-10(11)15/h15H,4-7H2,1-3H3