(2-oxidanylideneoxolan-3-yl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C12H11NO8S MolecularWeight: 329.28264

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO8S/c1-22(18,19)10-3-2-7(6-8(10)13(16)17)11(14)21-9-4-5-20-12(9)15/h2-3,6,9H,4-5H2,1H3