3,4-dimethyl-1-(phenylsulfonyl)pent-4-en-2-one

Systemtic Name: 3,4-dimethyl-1-(phenylsulfonyl)pent-4-en-2-one Openeye Name: 1-(benzenesulfonyl)-3,4-dimethyl-pent-4-en-2-one CAS Name: 1-(benzenesulfonyl)-3,4-dimethyl-4-penten-2-one IUPAC Name: 1-(benzenesulfonyl)-3,4-dimethylpent-4-en-2-one Traditional Name: 1-besyl-3,4-dimethyl-pent-4-en-2-one Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)C)C(=O)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=C)C)C(=O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-10(2)11(3)13(14)9-17(15,16)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3