bis(2,2,2-trinitroethyl) benzene-1,2-dicarboxylate

Systemtic Name: bis(2,2,2-trinitroethyl) benzene-1,2-dicarboxylate Openeye Name: bis(2,2,2-trinitroethyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(2,2,2-trinitroethyl) ester IUPAC Name: bis(2,2,2-trinitroethyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(2,2,2-trinitroethyl) ester Formula: C12H8N6O16 MolecularWeight: 492.22252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N6O16/c19-9(33-5-11(13(21)22,14(23)24)15(25)26)7-3-1-2-4-8(7)10(20)34-6-12(16(27)28,17(29)30)18(31)32/h1-4H,5-6H2