2,6-ditert-butyl-4-phenyl-pyrylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,6-ditert-butyl-4-phenyl-pyrylium; tris(fluoranyl)methanesulfonate Openeye Name: 2,6-ditert-butyl-4-phenyl-pyrylium; trifluoromethanesulfonate CAS Name: 2,6-ditert-butyl-4-phenylpyrylium; trifluoromethanesulfonate IUPAC Name: 2,6-ditert-butyl-4-phenylpyrylium; trifluoromethanesulfonate Traditional Name: 2,6-ditert-butyl-4-phenyl-pyrylium triflate Formula: C20H25F3O4S MolecularWeight: 418.47031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O.CHF3O3S/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6;2-1(3,4)8(5,6)7/h7-13H,1-6H3;(H,5,6,7)/q+1;/p-1