2-(2,2-dinitroethyl)-2-nitro-propane-1,3-diol

Systemtic Name: 2-(2,2-dinitroethyl)-2-nitro-propane-1,3-diol Openeye Name: 2-(2,2-dinitroethyl)-2-nitro-propane-1,3-diol CAS Name: 2-(2,2-dinitroethyl)-2-nitropropane-1,3-diol IUPAC Name: 2-(2,2-dinitroethyl)-2-nitropropane-1,3-diol Traditional Name: 2-(2,2-dinitroethyl)-2-nitro-propane-1,3-diol Formula: C5H9N3O8 MolecularWeight: 239.14026

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Descriptors Computed from Structure

Canonical SMILES:

C(C([N+](=O)[O-])[N+](=O)[O-])C(CO)(CO)[N+](=O)[O-]

Isomeric SMILES

C(C([N+](=O)[O-])[N+](=O)[O-])C(CO)(CO)[N+](=O)[O-]

InChI

InChI=1S/C5H9N3O8/c9-2-5(3-10,8(15)16)1-4(6(11)12)7(13)14/h4,9-10H,1-3H2