[(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxy-oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxy-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-nitrooxy-tetrahydropyran-4-yl] ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)O[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)OC(=O)C2=CC=CC=C2)O[N+](=O)[O-]

InChI

InChI=1S/C14H17NO7/c1-9-13(22-15(17)18)11(8-12(19-2)20-9)21-14(16)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11-,12+,13-/m1/s1