2,2,2-trinitroethyl 4,4,4-trinitrobutanoate

Systemtic Name: 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate Openeye Name: 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid 2,2,2-trinitroethyl ester IUPAC Name: 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid 2,2,2-trinitroethyl ester Formula: C6H6N6O14 MolecularWeight: 386.14364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N6O14/c13-4(1-2-5(7(14)15,8(16)17)9(18)19)26-3-6(10(20)21,11(22)23)12(24)25/h1-3H2