[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-2-methyl-6-nitrooxy-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-2-methyl-6-nitrooxy-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6S)-4,5-diacetoxy-2-methyl-6-nitrooxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-2-methyl-6-nitrooxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-2-methyl-6-nitrooxyoxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6S)-4,5-diacetoxy-2-methyl-6-nitrooxy-tetrahydropyran-3-yl] ester Formula: C12H17NO10 MolecularWeight: 335.26408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO10/c1-5-9(20-6(2)14)10(21-7(3)15)11(22-8(4)16)12(19-5)23-13(17)18/h5,9-12H,1-4H3/t5-,9+,10+,11-,12-/m0/s1