3,3-dimethyl-1-(4-methylsulfanylphenyl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(4-methylsulfanylphenyl)butan-1-one Openeye Name: 3,3-dimethyl-1-(4-methylsulfanylphenyl)butan-1-one CAS Name: 3,3-dimethyl-1-[4-(methylthio)phenyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-(4-methylsulfanylphenyl)butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(methylthio)phenyl]butan-1-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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