5,5-dimethyl-2-(4-methylphenyl)sulfanyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(4-methylphenyl)sulfanyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(p-tolylsulfanyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(4-methylphenyl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(p-tolylthio)cyclohexane-1,3-quinone Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C15H18O2S/c1-10-4-6-11(7-5-10)18-14-12(16)8-15(2,3)9-13(14)17/h4-7,14H,8-9H2,1-3H3