2-methyl-2-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-methyl-2-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-methyl-2-phenylsulfanyl-cyclohexanone CAS Name: 2-methyl-2-(phenylthio)-1-cyclohexanone IUPAC Name: 2-methyl-2-phenylsulfanylcyclohexan-1-one Traditional Name: 2-methyl-2-(phenylthio)cyclohexanone Formula: C13H16OS MolecularWeight: 220.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

CC1(CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C13H16OS/c1-13(10-6-5-9-12(13)14)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3