2-ethanoyl-2-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-ethanoyl-2-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-acetyl-2-phenylsulfanyl-cyclohexanone CAS Name: 2-acetyl-2-(phenylthio)-1-cyclohexanone IUPAC Name: 2-acetyl-2-phenylsulfanylcyclohexan-1-one Traditional Name: 2-acetyl-2-(phenylthio)cyclohexanone Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1(CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C14H16O2S/c1-11(15)14(10-6-5-9-13(14)16)17-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3