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

Systemtic Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate Openeye Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate CAS Name: 2-(1-ethyl-1-aziridin-1-iumyl)ethanol; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate Traditional Name: 2-(1-ethylethylenimin-1-ium-1-yl)ethanol; 2,4,6-trinitrobesylate Formula: C12H16N4O10S MolecularWeight: 408.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C6H3N3O9S.C6H14NO/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-2-7(3-4-7)5-6-8/h1-2H,(H,16,17,18);8H,2-6H2,1H3/q;+1/p-1