4,4-dimethyl-3-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 4,4-dimethyl-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 4,4-dimethyl-3-phenylsulfanyl-cyclohexanone CAS Name: 4,4-dimethyl-3-(phenylthio)-1-cyclohexanone IUPAC Name: 4,4-dimethyl-3-phenylsulfanylcyclohexan-1-one Traditional Name: 4,4-dimethyl-3-(phenylthio)cyclohexanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)CC1SC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(=O)CC1SC2=CC=CC=C2)C

InChI

InChI=1S/C14H18OS/c1-14(2)9-8-11(15)10-13(14)16-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3