ethanol; 2,4,6-trinitrophenol; tris(chloranyl)iron

Systemtic Name: ethanol; 2,4,6-trinitrophenol; tris(chloranyl)iron Openeye Name: ethanol; picric acid; trichloroiron CAS Name: ethanol; trichloroiron; 2,4,6-trinitrophenol IUPAC Name: ethanol; trichloroiron; 2,4,6-trinitrophenol Traditional Name: ethanol; picric acid; trichloroiron Formula: C8H9Cl3FeN3O8 MolecularWeight: 437.37636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C2H6O.3ClH.Fe/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3;;;;/h1-2,10H;3H,2H2,1H3;3*1H;/q;;;;;+3/p-3