(2-butyl-4,6-dinitro-phenyl) fluoranylmethyl carbonate

Systemtic Name: (2-butyl-4,6-dinitro-phenyl) fluoranylmethyl carbonate Openeye Name: (2-butyl-4,6-dinitro-phenyl) fluoromethyl carbonate CAS Name: carbonic acid (2-butyl-4,6-dinitrophenyl) fluoromethyl ester IUPAC Name: (2-butyl-4,6-dinitrophenyl) fluoromethyl carbonate Traditional Name: carbonic acid (2-butyl-4,6-dinitro-phenyl) fluoromethyl ester Formula: C12H13FN2O7 MolecularWeight: 316.239223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1OC(=O)OCF)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1OC(=O)OCF)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13FN2O7/c1-2-3-4-8-5-9(14(17)18)6-10(15(19)20)11(8)22-12(16)21-7-13/h5-6H,2-4,7H2,1H3