4,6-dinitrobenzene-1,3-dicarboxylate

Systemtic Name: 4,6-dinitrobenzene-1,3-dicarboxylate Openeye Name: 4,6-dinitrobenzene-1,3-dicarboxylate CAS Name: 4,6-dinitrobenzene-1,3-dicarboxylate IUPAC Name: 4,6-dinitrobenzene-1,3-dicarboxylate Traditional Name: 4,6-dinitroisophthalate Formula: C8H2N2O8-2 MolecularWeight: 254.11008

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H4N2O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)/p-2