4-(2,3-dinitrooxypropyl)benzoic acid

Systemtic Name: 4-(2,3-dinitrooxypropyl)benzoic acid Openeye Name: 4-(2,3-dinitrooxypropyl)benzoic acid CAS Name: 4-(2,3-dinitrooxypropyl)benzoic acid IUPAC Name: 4-(2,3-dinitrooxypropyl)benzoic acid Traditional Name: 4-(2,3-dinitrooxypropyl)benzoic acid Formula: C10H10N2O8 MolecularWeight: 286.195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H10N2O8/c13-10(14)8-3-1-7(2-4-8)5-9(20-12(17)18)6-19-11(15)16/h1-4,9H,5-6H2,(H,13,14)