2-chloranyl-5,5-dimethyl-2-phenylsulfanyl-cyclohexane-1,3-dione

Systemtic Name: 2-chloranyl-5,5-dimethyl-2-phenylsulfanyl-cyclohexane-1,3-dione Openeye Name: 2-chloro-5,5-dimethyl-2-phenylsulfanyl-cyclohexane-1,3-dione CAS Name: 2-chloro-5,5-dimethyl-2-(phenylthio)cyclohexane-1,3-dione IUPAC Name: 2-chloro-5,5-dimethyl-2-phenylsulfanylcyclohexane-1,3-dione Traditional Name: 2-chloro-5,5-dimethyl-2-(phenylthio)cyclohexane-1,3-quinone Formula: C14H15ClO2S MolecularWeight: 282.7857

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)(SC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)(SC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C14H15ClO2S/c1-13(2)8-11(16)14(15,12(17)9-13)18-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3