1-tert-butyl-3,3-dinitro-azetidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-tert-butyl-3,3-dinitro-azetidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-tert-butyl-3,3-dinitro-azetidin-1-ium; 2,2,2-trifluoroacetate CAS Name: 1-tert-butyl-3,3-dinitroazetidin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-tert-butyl-3,3-dinitroazetidin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 1-tert-butyl-3,3-dinitro-azetidin-1-ium; 2,2,2-trifluoroacetate Formula: C9H14F3N3O6 MolecularWeight: 317.21917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CC(C1)([N+](=O)[O-])[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)[NH+]1CC(C1)([N+](=O)[O-])[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H13N3O4.C2HF3O2/c1-6(2,3)8-4-7(5-8,9(11)12)10(13)14;3-2(4,5)1(6)7/h4-5H2,1-3H3;(H,6,7)