5-methyl-5-(phenylsulfonyl)octane-2,6-dione

Systemtic Name: 5-methyl-5-(phenylsulfonyl)octane-2,6-dione Openeye Name: 5-(benzenesulfonyl)-5-methyl-octane-2,6-dione CAS Name: 5-(benzenesulfonyl)-5-methyloctane-2,6-dione IUPAC Name: 5-(benzenesulfonyl)-5-methyloctane-2,6-dione Traditional Name: 5-besyl-5-methyl-octane-2,6-dione Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c1-4-14(17)15(3,11-10-12(2)16)20(18,19)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3