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

Systemtic Name: 3,3-dimethyl-4-phenyl-4-sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-4-phenyl-4-sulfanyl-butan-2-one CAS Name: 4-mercapto-3,3-dimethyl-4-phenyl-2-butanone IUPAC Name: 3,3-dimethyl-4-phenyl-4-sulfanylbutan-2-one Traditional Name: 4-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(=O)C(C)(C)C(C1=CC=CC=C1)S

Isomeric SMILES

CC(=O)C(C)(C)C(C1=CC=CC=C1)S

InChI

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