3-oxidanylidenepentan-2-yl 4-nitrobenzenesulfonate

Systemtic Name: 3-oxidanylidenepentan-2-yl 4-nitrobenzenesulfonate Openeye Name: (1-methyl-2-oxo-butyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 3-oxopentan-2-yl ester IUPAC Name: 3-oxopentan-2-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-1-methyl-butyl) ester Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-3-11(13)8(2)18-19(16,17)10-6-4-9(5-7-10)12(14)15/h4-8H,3H2,1-2H3