3,3-dimethyl-4-phenyl-1-sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-4-phenyl-1-sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-4-phenyl-1-sulfanyl-butan-2-one CAS Name: 1-mercapto-3,3-dimethyl-4-phenyl-2-butanone IUPAC Name: 3,3-dimethyl-4-phenyl-1-sulfanylbutan-2-one Traditional Name: 1-mercapto-3,3-dimethyl-4-phenyl-butan-2-one Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16OS/c1-12(2,11(13)9-14)8-10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3