2,2-dimethyl-1-(2-methylsulfanylphenyl)butan-1-one

Systemtic Name: 2,2-dimethyl-1-(2-methylsulfanylphenyl)butan-1-one Openeye Name: 2,2-dimethyl-1-(2-methylsulfanylphenyl)butan-1-one CAS Name: 2,2-dimethyl-1-[2-(methylthio)phenyl]-1-butanone IUPAC Name: 2,2-dimethyl-1-(2-methylsulfanylphenyl)butan-1-one Traditional Name: 2,2-dimethyl-1-[2-(methylthio)phenyl]butan-1-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCC(C)(C)C(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C13H18OS/c1-5-13(2,3)12(14)10-8-6-7-9-11(10)15-4/h6-9H,5H2,1-4H3