3-methyl-1-(4-methylsulfonylphenyl)butan-1-one

Systemtic Name: 3-methyl-1-(4-methylsulfonylphenyl)butan-1-one Openeye Name: 3-methyl-1-(4-methylsulfonylphenyl)butan-1-one CAS Name: 3-methyl-1-(4-methylsulfonylphenyl)-1-butanone IUPAC Name: 3-methyl-1-(4-methylsulfonylphenyl)butan-1-one Traditional Name: 1-(4-mesylphenyl)-3-methyl-butan-1-one Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-9(2)8-12(13)10-4-6-11(7-5-10)16(3,14)15/h4-7,9H,8H2,1-3H3