5,5-dimethyl-2-[(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione Openeye Name: 2-(benzylsulfanylmethylene)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(phenylmethylthio)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-(benzylsulfanylmethylidene)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(benzylthio)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CSCC2=CC=CC=C2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CSCC2=CC=CC=C2)C(=O)C1)C

InChI

InChI=1S/C16H18O2S/c1-16(2)8-14(17)13(15(18)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3