2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate CAS Name: 2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate IUPAC Name: 2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate Traditional Name: 2-tert-butyl-4-phenyl-5H-indeno[1,2-b]pyran-1-ium triflate Formula: C23H21F3O4S MolecularWeight: 450.47065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[O+]C2=C(CC3=CC=CC=C32)C(=C1)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=[O+]C2=C(CC3=CC=CC=C32)C(=C1)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H21O.CHF3O3S/c1-22(2,3)20-14-18(15-9-5-4-6-10-15)19-13-16-11-7-8-12-17(16)21(19)23-20;2-1(3,4)8(5,6)7/h4-12,14H,13H2,1-3H3;(H,5,6,7)/q+1;/p-1