(2-butyl-6-nitro-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-butyl-6-nitro-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (2-butyl-6-nitro-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (2-butyl-6-nitrophenyl) ester IUPAC Name: (2-butyl-6-nitrophenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-butyl-6-nitro-phenyl) ester Formula: C11H12F3NO5S MolecularWeight: 327.27689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C(=CC=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H12F3NO5S/c1-2-3-5-8-6-4-7-9(15(16)17)10(8)20-21(18,19)11(12,13)14/h4,6-7H,2-3,5H2,1H3