3-oxidanylidenebutan-2-yl benzenesulfonate

Systemtic Name: 3-oxidanylidenebutan-2-yl benzenesulfonate Openeye Name: (1-methyl-2-oxo-propyl) benzenesulfonate CAS Name: benzenesulfonic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-1-methyl-propyl) ester Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)C)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O4S/c1-8(11)9(2)14-15(12,13)10-6-4-3-5-7-10/h3-7,9H,1-2H3