3,3-dimethyl-4-phenylsulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-4-phenylsulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-4-phenylsulfanyl-butan-2-one CAS Name: 3,3-dimethyl-4-(phenylthio)-2-butanone IUPAC Name: 3,3-dimethyl-4-phenylsulfanylbutan-2-one Traditional Name: 3,3-dimethyl-4-(phenylthio)butan-2-one Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)CSC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(C)(C)CSC1=CC=CC=C1

InChI

InChI=1S/C12H16OS/c1-10(13)12(2,3)9-14-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3