iodanylbenzene; (4-nitrophenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: iodanylbenzene; (4-nitrophenyl) tris(fluoranyl)methanesulfonate Openeye Name: iodobenzene; (4-nitrophenyl) trifluoromethanesulfonate CAS Name: iodobenzene; trifluoromethanesulfonic acid (4-nitrophenyl) ester IUPAC Name: iodobenzene; (4-nitrophenyl) trifluoromethanesulfonate Traditional Name: iodobenzene; trifluoromethanesulfonic acid (4-nitrophenyl) ester Formula: C13H9F3INO5S MolecularWeight: 475.17894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4F3NO5S.C6H5I/c8-7(9,10)17(14,15)16-6-3-1-5(2-4-6)11(12)13;7-6-4-2-1-3-5-6/h1-4H;1-5H