3-oxidanylidenebutan-2-yl 4-nitrobenzenesulfonate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-nitrobenzenesulfonate Openeye Name: (1-methyl-2-oxo-propyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-1-methyl-propyl) ester Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO6S/c1-7(12)8(2)17-18(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8H,1-2H3