3-methyl-4-(4-methylphenyl)sulfonyl-butan-2-one

Systemtic Name: 3-methyl-4-(4-methylphenyl)sulfonyl-butan-2-one Openeye Name: 3-methyl-4-(p-tolylsulfonyl)butan-2-one CAS Name: 3-methyl-4-(4-methylphenyl)sulfonyl-2-butanone IUPAC Name: 3-methyl-4-(4-methylphenyl)sulfonylbutan-2-one Traditional Name: 3-methyl-4-tosyl-butan-2-one Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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