2-methyl-2-(phenylmethylsulfanyl)cyclohexan-1-one

Systemtic Name: 2-methyl-2-(phenylmethylsulfanyl)cyclohexan-1-one Openeye Name: 2-benzylsulfanyl-2-methyl-cyclohexanone CAS Name: 2-methyl-2-(phenylmethylthio)-1-cyclohexanone IUPAC Name: 2-benzylsulfanyl-2-methylcyclohexan-1-one Traditional Name: 2-(benzylthio)-2-methyl-cyclohexanone Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)SCC2=CC=CC=C2

Isomeric SMILES

CC1(CCCCC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H18OS/c1-14(10-6-5-9-13(14)15)16-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3