3-methyl-1-(phenylsulfonyl)octan-2-one

Systemtic Name: 3-methyl-1-(phenylsulfonyl)octan-2-one Openeye Name: 1-(benzenesulfonyl)-3-methyl-octan-2-one CAS Name: 1-(benzenesulfonyl)-3-methyl-2-octanone IUPAC Name: 1-(benzenesulfonyl)-3-methyloctan-2-one Traditional Name: 1-besyl-3-methyl-octan-2-one Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3S/c1-3-4-6-9-13(2)15(16)12-19(17,18)14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3