4,5-dinitronaphthalene-1,2-dicarboxylic acid

Systemtic Name: 4,5-dinitronaphthalene-1,2-dicarboxylic acid Openeye Name: 4,5-dinitronaphthalene-1,2-dicarboxylic acid CAS Name: 4,5-dinitronaphthalene-1,2-dicarboxylic acid IUPAC Name: 4,5-dinitronaphthalene-1,2-dicarboxylic acid Traditional Name: 4,5-dinitronaphthalene-1,2-dicarboxylic acid Formula: C12H6N2O8 MolecularWeight: 306.18464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C12H6N2O8/c15-11(16)6-4-8(14(21)22)10-5(9(6)12(17)18)2-1-3-7(10)13(19)20/h1-4H,(H,15,16)(H,17,18)