1,3,5-trinitrocyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1,3,5-trinitrocyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1,3,5-trinitrocyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1,3,5-trinitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1,3,5-trinitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1,3,5-trinitrocyclohexa-2,4-diene-1-carboxylic acid Formula: C7H5N3O8 MolecularWeight: 259.1299

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CC1(C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=CC(=CC1(C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O8/c11-6(12)7(10(17)18)2-4(8(13)14)1-5(3-7)9(15)16/h1-2H,3H2,(H,11,12)