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

Systemtic Name: 3,3-dimethyl-1-(4-sulfanylphenyl)butan-1-one Openeye Name: 3,3-dimethyl-1-(4-sulfanylphenyl)butan-1-one CAS Name: 1-(4-mercaptophenyl)-3,3-dimethyl-1-butanone IUPAC Name: 3,3-dimethyl-1-(4-sulfanylphenyl)butan-1-one Traditional Name: 1-(4-mercaptophenyl)-3,3-dimethyl-butan-1-one Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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