3-(2,2-dinitropropoxymethoxy)-2,2-dinitro-propane-1,1-diol

Systemtic Name: 3-(2,2-dinitropropoxymethoxy)-2,2-dinitro-propane-1,1-diol Openeye Name: 3-(2,2-dinitropropoxymethoxy)-2,2-dinitro-propane-1,1-diol CAS Name: 3-(2,2-dinitropropoxymethoxy)-2,2-dinitropropane-1,1-diol IUPAC Name: 3-(2,2-dinitropropoxymethoxy)-2,2-dinitropropane-1,1-diol Traditional Name: 3-(2,2-dinitropropoxymethoxy)-2,2-dinitro-propane-1,1-diol Formula: C7H12N4O12 MolecularWeight: 344.18978

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCOCC(C(O)O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(COCOCC(C(O)O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H12N4O12/c1-6(8(14)15,9(16)17)2-22-4-23-3-7(5(12)13,10(18)19)11(20)21/h5,12-13H,2-4H2,1H3