[(2S,3R,4R,5S,6R)-3,4,5-tris(3-nitropropanoyloxy)-6-oxidanyl-oxan-2-yl]methyl 3-nitropropanoate

Systemtic Name: [(2S,3R,4R,5S,6R)-3,4,5-tris(3-nitropropanoyloxy)-6-oxidanyl-oxan-2-yl]methyl 3-nitropropanoate Openeye Name: [(2S,3R,4R,5S,6R)-6-hydroxy-3,4,5-tris(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate CAS Name: 3-nitropropanoic acid [(2S,3R,4R,5S,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester IUPAC Name: [(2S,3R,4R,5S,6R)-6-hydroxy-3,4,5-tris(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate Traditional Name: 3-nitropropionic acid [(2S,3R,4R,5S,6R)-6-hydroxy-3,4,5-tris(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C18H24N4O18 MolecularWeight: 584.39916

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Descriptors Computed from Structure

Canonical SMILES:

C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O18/c23-11(1-5-19(28)29)36-9-10-15(38-12(24)2-6-20(30)31)16(39-13(25)3-7-21(32)33)17(18(27)37-10)40-14(26)4-8-22(34)35/h10,15-18,27H,1-9H2/t10-,15+,16+,17-,18+/m0/s1