3-chloranyl-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: 3-chloranyl-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 3-chloro-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 3-chloro-5,5-dimethyl-2-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 3-chloro-5,5-dimethyl-2-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 3-chloro-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one Formula: C14H15ClOS MolecularWeight: 266.7863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClOS/c1-14(2)8-11(15)13(12(16)9-14)17-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3