4,6-dinitro-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 4,6-dinitro-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-hydroxy-4,6-dinitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-hydroxy-4,6-dinitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-hydroxy-4,6-dinitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-hydroxy-4,6-dinitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C7H6N2O7 MolecularWeight: 230.13174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O7/c10-6(11)7(12)2-1-4(8(13)14)3-5(7)9(15)16/h1-3,5,12H,(H,10,11)