3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione

Systemtic Name: 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione Openeye Name: 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione CAS Name: 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione IUPAC Name: 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione Traditional Name: 1-(4-mesylphenyl)-3-methyl-pentane-1,4-dione Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-9(10(2)14)8-13(15)11-4-6-12(7-5-11)18(3,16)17/h4-7,9H,8H2,1-3H3