6-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(4,4-dinitro-1-cyclohexa-2,5-dienyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)C(=O)O)C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(C(C=C1)C(=O)O)C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c16-12(17)11-4-2-1-3-10(11)9-5-7-13(8-6-9,14(18)19)15(20)21/h1-11H,(H,16,17)