3-methoxy-1H-isoindol-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-methoxy-1H-isoindol-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate CAS Name: 3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate IUPAC Name: 3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate Traditional Name: 3-methoxy-1H-isoindol-2-ium triflate Formula: C10H10F3NO4S MolecularWeight: 297.25091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]CC2=CC=CC=C21.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=[NH+]CC2=CC=CC=C21.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9NO.CHF3O3S/c1-11-9-8-5-3-2-4-7(8)6-10-9;2-1(3,4)8(5,6)7/h2-5H,6H2,1H3;(H,5,6,7)