3,3-dimethyl-1-(4-methylsulfonylphenyl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-methylsulfonylphenyl)butan-2-one Openeye Name: 3,3-dimethyl-1-(4-methylsulfonylphenyl)butan-2-one CAS Name: 3,3-dimethyl-1-(4-methylsulfonylphenyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-methylsulfonylphenyl)butan-2-one Traditional Name: 1-(4-mesylphenyl)-3,3-dimethyl-butan-2-one Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-13(2,3)12(14)9-10-5-7-11(8-6-10)17(4,15)16/h5-8H,9H2,1-4H3