4-[(2-methylpropan-2-yl)oxy]-3-(phenylsulfonyl)butan-2-one

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-3-(phenylsulfonyl)butan-2-one Openeye Name: 3-(benzenesulfonyl)-4-tert-butoxy-butan-2-one CAS Name: 3-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxy]-2-butanone IUPAC Name: 3-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-one Traditional Name: 3-besyl-4-tert-butoxy-butan-2-one Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-11(15)13(10-18-14(2,3)4)19(16,17)12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3