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

Systemtic Name: 5-bromanyl-3-methoxy-1H-isoindol-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-bromo-3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate CAS Name: 5-bromo-3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate IUPAC Name: 5-bromo-3-methoxy-1H-isoindol-2-ium; trifluoromethanesulfonate Traditional Name: 5-bromo-3-methoxy-1H-isoindol-2-ium triflate Formula: C10H9BrF3NO4S MolecularWeight: 376.14697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]CC2=C1C=C(C=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=[NH+]CC2=C1C=C(C=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H8BrNO.CHF3O3S/c1-12-9-8-4-7(10)3-2-6(8)5-11-9;2-1(3,4)8(5,6)7/h2-4H,5H2,1H3;(H,5,6,7)