5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(phenylthio)methyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(phenylsulfanylmethyl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(phenylthio)methyl]cyclohexane-1,3-quinone Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)CSC2=CC=CC=C2)C

InChI

InChI=1S/C15H18O2S/c1-15(2)8-13(16)12(14(17)9-15)10-18-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3