2,4,6-tritert-butyl-1-fluoranyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,6-tritert-butyl-1-fluoranyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4,6-tritert-butyl-1-fluoro-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2,4,6-tritert-butyl-1-fluoropyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2,4,6-tritert-butyl-1-fluoropyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2,4,6-tritert-butyl-1-fluoro-pyridin-1-ium triflate Formula: C18H29F4NO3S MolecularWeight: 415.486373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[N+](C(=C1)C(C)(C)C)F)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=[N+](C(=C1)C(C)(C)C)F)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H29FN.CHF3O3S/c1-15(2,3)12-10-13(16(4,5)6)19(18)14(11-12)17(7,8)9;2-1(3,4)8(5,6)7/h10-11H,1-9H3;(H,5,6,7)/q+1;/p-1