iodanylbenzene; (4-nitrophenyl) 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: iodanylbenzene; (4-nitrophenyl) 4-(trifluoromethyl)benzenesulfonate Openeye Name: iodobenzene; (4-nitrophenyl) 4-(trifluoromethyl)benzenesulfonate CAS Name: iodobenzene; 4-(trifluoromethyl)benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: iodobenzene; (4-nitrophenyl) 4-(trifluoromethyl)benzenesulfonate Traditional Name: iodobenzene; 4-(trifluoromethyl)benzenesulfonic acid (4-nitrophenyl) ester Formula: C19H13F3INO5S MolecularWeight: 551.2749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)I.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)I.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8F3NO5S.C6H5I/c14-13(15,16)9-1-7-12(8-2-9)23(20,21)22-11-5-3-10(4-6-11)17(18)19;7-6-4-2-1-3-5-6/h1-8H;1-5H