3-[2-[2,3-bis(oxidanyl)propoxy]-4,5-dinitro-phenoxy]propane-1,2-diol

Systemtic Name: 3-[2-[2,3-bis(oxidanyl)propoxy]-4,5-dinitro-phenoxy]propane-1,2-diol Openeye Name: 3-[2-(2,3-dihydroxypropoxy)-4,5-dinitro-phenoxy]propane-1,2-diol CAS Name: 3-[2-(2,3-dihydroxypropoxy)-4,5-dinitrophenoxy]propane-1,2-diol IUPAC Name: 3-[2-(2,3-dihydroxypropoxy)-4,5-dinitrophenoxy]propane-1,2-diol Traditional Name: 3-(2-glyceryloxy-4,5-dinitro-phenoxy)propane-1,2-diol Formula: C12H16N2O10 MolecularWeight: 348.26284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1OCC(CO)O)OCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1OCC(CO)O)OCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O10/c15-3-7(17)5-23-11-1-9(13(19)20)10(14(21)22)2-12(11)24-6-8(18)4-16/h1-2,7-8,15-18H,3-6H2