(2-ethyl-4,6-dinitro-phenyl) 4-fluoranylbut-2-ynyl carbonate

Systemtic Name: (2-ethyl-4,6-dinitro-phenyl) 4-fluoranylbut-2-ynyl carbonate Openeye Name: (2-ethyl-4,6-dinitro-phenyl) 4-fluorobut-2-ynyl carbonate CAS Name: carbonic acid (2-ethyl-4,6-dinitrophenyl) 4-fluorobut-2-ynyl ester IUPAC Name: (2-ethyl-4,6-dinitrophenyl) 4-fluorobut-2-ynyl carbonate Traditional Name: carbonic acid (2-ethyl-4,6-dinitro-phenyl) 4-fluorobut-2-ynyl ester Formula: C13H11FN2O7 MolecularWeight: 326.234043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OC(=O)OCC#CCF)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC(=C1OC(=O)OCC#CCF)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11FN2O7/c1-2-9-7-10(15(18)19)8-11(16(20)21)12(9)23-13(17)22-6-4-3-5-14/h7-8H,2,5-6H2,1H3