(1-tert-butylazetidin-1-ium-3-yl) 4-methoxybenzoate; tris(fluoranyl)methanesulfonate

Systemtic Name: (1-tert-butylazetidin-1-ium-3-yl) 4-methoxybenzoate; tris(fluoranyl)methanesulfonate Openeye Name: (1-tert-butylazetidin-1-ium-3-yl) 4-methoxybenzoate; trifluoromethanesulfonate CAS Name: 4-methoxybenzoic acid (1-tert-butyl-3-azetidin-1-iumyl) ester; trifluoromethanesulfonate IUPAC Name: (1-tert-butylazetidin-1-ium-3-yl) 4-methoxybenzoate; trifluoromethanesulfonate Traditional Name: 4-methoxybenzoic acid (1-tert-butylazetidin-1-ium-3-yl) ester triflate Formula: C16H22F3NO6S MolecularWeight: 413.40919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CC(C1)OC(=O)C2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)[NH+]1CC(C1)OC(=O)C2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO3.CHF3O3S/c1-15(2,3)16-9-13(10-16)19-14(17)11-5-7-12(18-4)8-6-11;2-1(3,4)8(5,6)7/h5-8,13H,9-10H2,1-4H3;(H,5,6,7)