methyl 5,5-dimethyl-3-(phenylsulfonyl)hexanoate

Systemtic Name: methyl 5,5-dimethyl-3-(phenylsulfonyl)hexanoate Openeye Name: methyl 3-(benzenesulfonyl)-5,5-dimethyl-hexanoate CAS Name: 3-(benzenesulfonyl)-5,5-dimethylhexanoic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-5,5-dimethylhexanoate Traditional Name: 3-besyl-5,5-dimethyl-hexanoic acid methyl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-15(2,3)11-13(10-14(16)19-4)20(17,18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3