(3-tert-butyl-4-nitro-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-tert-butyl-4-nitro-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (3-tert-butyl-4-nitro-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-tert-butyl-4-nitrophenyl) ester IUPAC Name: (3-tert-butyl-4-nitrophenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-tert-butyl-4-nitro-phenyl) ester Formula: C11H12F3NO5S MolecularWeight: 327.27689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO5S/c1-10(2,3)8-6-7(4-5-9(8)15(16)17)20-21(18,19)11(12,13)14/h4-6H,1-3H3