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

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-bis(3-nitropropanoyloxy)-3,6-bis(oxidanyl)oxan-2-yl]methyl 3-nitropropanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate CAS Name: 3-nitropropanoic acid [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate Traditional Name: 3-nitropropionic acid [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C15H21N3O15 MolecularWeight: 483.33834

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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-])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-])O

InChI

InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(32-10(20)2-5-17(26)27)14(15(23)31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1