(1,1,2-trinitro-1,3-dinitrooxy-3,3-diphenyl-propan-2-yl) nitrate

Systemtic Name: (1,1,2-trinitro-1,3-dinitrooxy-3,3-diphenyl-propan-2-yl) nitrate Openeye Name: [1-[dinitro(nitrooxy)methyl]-1-nitro-2-nitrooxy-2,2-diphenyl-ethyl] nitrate CAS Name: nitric acid (1,1,2-trinitro-1,3-dinitrooxy-3,3-diphenylpropan-2-yl) ester IUPAC Name: (1,1,2-trinitro-1,3-dinitrooxy-3,3-diphenylpropan-2-yl) nitrate Traditional Name: nitric acid [1-[dinitro(nitrooxy)methyl]-1-nitro-2-nitrooxy-2,2-diphenyl-ethyl] ester Formula: C15H10N6O15 MolecularWeight: 514.2711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C([N+](=O)[O-])([N+](=O)[O-])O[N+](=O)[O-])([N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C([N+](=O)[O-])([N+](=O)[O-])O[N+](=O)[O-])([N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O15/c22-16(23)14(35-20(30)31,15(17(24)25,18(26)27)36-21(32)33)13(34-19(28)29,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H