3,3-dimethyl-1-(4-methylphenyl)sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-methylphenyl)sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-(p-tolylsulfanyl)butan-2-one CAS Name: 3,3-dimethyl-1-[(4-methylphenyl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-methylphenyl)sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-(p-tolylthio)butan-2-one Formula: C13H18OS MolecularWeight: 222.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C(C)(C)C

InChI

InChI=1S/C13H18OS/c1-10-5-7-11(8-6-10)15-9-12(14)13(2,3)4/h5-8H,9H2,1-4H3