[1,1-dinitrooxy-1,4,5-tris(oxidanyl)pentan-2-yl] nitrate

Systemtic Name: [1,1-dinitrooxy-1,4,5-tris(oxidanyl)pentan-2-yl] nitrate Openeye Name: [3,4-dihydroxy-1-[hydroxy(dinitrooxy)methyl]butyl] nitrate CAS Name: nitric acid (1,4,5-trihydroxy-1,1-dinitrooxypentan-2-yl) ester IUPAC Name: (1,4,5-trihydroxy-1,1-dinitrooxypentan-2-yl) nitrate Traditional Name: nitric acid [3,4-dihydroxy-1-[hydroxy(dinitrooxy)methyl]butyl] ester Formula: C5H9N3O12 MolecularWeight: 303.13786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9N3O12/c9-2-3(10)1-4(18-6(12)13)5(11,19-7(14)15)20-8(16)17/h3-4,9-11H,1-2H2