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

Systemtic Name: 2-ethanoyl-5,5-dimethyl-3-sulfanyl-cyclohex-2-en-1-one Openeye Name: 2-acetyl-5,5-dimethyl-3-sulfanyl-cyclohex-2-en-1-one CAS Name: 2-acetyl-3-mercapto-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-acetyl-5,5-dimethyl-3-sulfanylcyclohex-2-en-1-one Traditional Name: 2-acetyl-3-mercapto-5,5-dimethyl-cyclohex-2-en-1-one Formula: C10H14O2S MolecularWeight: 198.28196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O2S/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h13H,4-5H2,1-3H3