(4-cyano-3,5-dimethyl-2-nitro-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-cyano-3,5-dimethyl-2-nitro-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (4-cyano-3,5-dimethyl-2-nitro-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (4-cyano-3,5-dimethyl-2-nitrophenyl) ester IUPAC Name: (4-cyano-3,5-dimethyl-2-nitrophenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-cyano-3,5-dimethyl-2-nitro-phenyl) ester Formula: C10H7F3N2O5S MolecularWeight: 324.23319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#N)C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1C#N)C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H7F3N2O5S/c1-5-3-8(20-21(18,19)10(11,12)13)9(15(16)17)6(2)7(5)4-14/h3H,1-2H3