[(2R,3R)-2-methyl-4-oxidanylidene-2,3-dihydropyran-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2R,3R)-2-methyl-4-oxidanylidene-2,3-dihydropyran-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] ester IUPAC Name: [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2R,3R)-4-keto-2-methyl-2,3-dihydropyran-3-yl] ester Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C=CO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H](C(=O)C=CO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO7S/c1-8-12(11(14)6-7-19-8)20-21(17,18)10-4-2-9(3-5-10)13(15)16/h2-8,12H,1H3/t8-,12-/m1/s1