2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrophenolate

Systemtic Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrophenolate Openeye Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrophenolate CAS Name: 2-(1-ethyl-1-aziridin-1-iumyl)ethanol; 2,4,6-trinitrophenolate IUPAC Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrophenolate Traditional Name: 2-(1-ethylethylenimin-1-ium-1-yl)ethanol picrate Formula: C12H16N4O8 MolecularWeight: 344.27744

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H14NO/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-7(3-4-7)5-6-8/h1-2,10H;8H,2-6H2,1H3/q;+1/p-1