(3,5-dimethoxy-2,4-dinitro-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3,5-dimethoxy-2,4-dinitro-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (3,5-dimethoxy-2,4-dinitro-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3,5-dimethoxy-2,4-dinitrophenyl) ester IUPAC Name: (3,5-dimethoxy-2,4-dinitrophenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3,5-dimethoxy-2,4-dinitro-phenyl) ester Formula: C9H7F3N2O9S MolecularWeight: 376.22009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1[N+](=O)[O-])OC)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C(=C1[N+](=O)[O-])OC)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H7F3N2O9S/c1-21-4-3-5(23-24(19,20)9(10,11)12)7(14(17)18)8(22-2)6(4)13(15)16/h3H,1-2H3