3-nitroheptane-1,2,3,4,5,7-hexol trinitrate

Systemtic Name: 3-nitroheptane-1,2,3,4,5,7-hexol trinitrate Openeye Name: 3-nitroheptane-1,2,3,4,5,7-hexol trinitrate CAS Name: 3-nitroheptane-1,2,3,4,5,7-hexol trinitrate IUPAC Name: 3-nitroheptane-1,2,3,4,5,7-hexol trinitrate Traditional Name: 3-nitroheptane-1,2,3,4,5,7-hexol trinitrate Formula: C7H15N4O17-3 MolecularWeight: 427.2106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO8.3NO3/c9-2-1-4(11)6(13)7(14,8(15)16)5(12)3-10;3*2-1(3)4/h4-6,9-14H,1-3H2;;;/q;3*-1