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

Systemtic Name: 3-methyl-1-(phenylsulfonyl)heptan-2-one Openeye Name: 1-(benzenesulfonyl)-3-methyl-heptan-2-one CAS Name: 1-(benzenesulfonyl)-3-methyl-2-heptanone IUPAC Name: 1-(benzenesulfonyl)-3-methylheptan-2-one Traditional Name: 1-besyl-3-methyl-heptan-2-one Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3S/c1-3-4-8-12(2)14(15)11-18(16,17)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3