3,5-dinitro-2-oxidanyl-benzoic acid hydrate

Systemtic Name: 3,5-dinitro-2-oxidanyl-benzoic acid hydrate Openeye Name: 2-hydroxy-3,5-dinitro-benzoic acid hydrate CAS Name: 2-hydroxy-3,5-dinitrobenzoic acid hydrate IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid hydrate Traditional Name: 2-hydroxy-3,5-dinitro-benzoic acid hydrate Formula: C7H6N2O8 MolecularWeight: 246.13114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O7.H2O/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16;/h1-2,10H,(H,11,12);1H2