4-methyl-4-(3-methylphenyl)sulfanyl-pentan-2-one

Systemtic Name: 4-methyl-4-(3-methylphenyl)sulfanyl-pentan-2-one Openeye Name: 4-methyl-4-(m-tolylsulfanyl)pentan-2-one CAS Name: 4-methyl-4-[(3-methylphenyl)thio]-2-pentanone IUPAC Name: 4-methyl-4-(3-methylphenyl)sulfanylpentan-2-one Traditional Name: 4-methyl-4-(m-tolylthio)pentan-2-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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