2-(2-hydroxyethyl)isoindole-1,3-dione; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(2-hydroxyethyl)isoindole-1,3-dione; tris(fluoranyl)methanesulfonate Openeye Name: 2-(2-hydroxyethyl)isoindoline-1,3-dione; trifluoromethanesulfonate CAS Name: 2-(2-hydroxyethyl)isoindole-1,3-dione; trifluoromethanesulfonate IUPAC Name: 2-(2-hydroxyethyl)isoindole-1,3-dione; trifluoromethanesulfonate Traditional Name: 2-(2-hydroxyethyl)isoindoline-1,3-quinone triflate Formula: C11H9F3NO6S- MolecularWeight: 340.25247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCO.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCO.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H9NO3.CHF3O3S/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;2-1(3,4)8(5,6)7/h1-4,12H,5-6H2;(H,5,6,7)/p-1