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

Systemtic Name: [6-(3-nitropropanoyloxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3-nitropropanoate Openeye Name: [3,4,5-trihydroxy-6-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate CAS Name: 3-nitropropanoic acid [3,4,5-trihydroxy-6-(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-trihydroxy-6-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate Traditional Name: 3-nitropropionic acid [3,4,5-trihydroxy-6-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C12H18N2O12 MolecularWeight: 382.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2