4,5-dinitrobenzene-1,3-dicarboxylic acid

Systemtic Name: 4,5-dinitrobenzene-1,3-dicarboxylic acid Openeye Name: 4,5-dinitrobenzene-1,3-dicarboxylic acid CAS Name: 4,5-dinitrobenzene-1,3-dicarboxylic acid IUPAC Name: 4,5-dinitrobenzene-1,3-dicarboxylic acid Traditional Name: 4,5-dinitroisophthalic acid Formula: C8H4N2O8 MolecularWeight: 256.12596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C(C=C(C(=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)5(2-3)9(15)16/h1-2H,(H,11,12)(H,13,14)