(2S)-2-butanoyl-5,5-dimethyl-3-sulfanylidene-cyclohexan-1-one

Systemtic Name: (2S)-2-butanoyl-5,5-dimethyl-3-sulfanylidene-cyclohexan-1-one Openeye Name: (2S)-2-butanoyl-5,5-dimethyl-3-thioxo-cyclohexanone CAS Name: (2S)-5,5-dimethyl-2-(1-oxobutyl)-3-sulfanylidene-1-cyclohexanone IUPAC Name: (2S)-2-butanoyl-5,5-dimethyl-3-sulfanylidenecyclohexan-1-one Traditional Name: (2S)-2-butyryl-5,5-dimethyl-3-thioxo-cyclohexanone Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=S)(C)C

Isomeric SMILES

CCCC(=O)[C@H]1C(=O)CC(CC1=S)(C)C

InChI

InChI=1S/C12H18O2S/c1-4-5-8(13)11-9(14)6-12(2,3)7-10(11)15/h11H,4-7H2,1-3H3/t11-/m0/s1