(2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-2-yl) 4-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: (2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-2-yl) 4-(trifluoromethyloxy)benzenesulfonate Openeye Name: (2-oxido-1-oxo-isoindolin-2-ium-2-yl) 4-(trifluoromethoxy)benzenesulfonate CAS Name: 4-(trifluoromethoxy)benzenesulfonic acid (2-oxido-3-oxo-1H-isoindol-2-ium-2-yl) ester IUPAC Name: (2-oxido-3-oxo-1H-isoindol-2-ium-2-yl) 4-(trifluoromethoxy)benzenesulfonate Traditional Name: 4-(trifluoromethoxy)benzenesulfonic acid (1-keto-2-oxido-isoindolin-2-ium-2-yl) ester Formula: C15H10F3NO6S MolecularWeight: 389.30321

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)[N+]1([O-])OS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)[N+]1([O-])OS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C15H10F3NO6S/c16-15(17,18)24-11-5-7-12(8-6-11)26(22,23)25-19(21)9-10-3-1-2-4-13(10)14(19)20/h1-8H,9H2