ethyl 4-(4-chlorophenyl)-6-phenyl-pyrylium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-phenyl-pyrylium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4-(4-chlorophenyl)-6-phenyl-pyrylium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4-(4-chlorophenyl)-6-phenyl-2-pyryliumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4-(4-chlorophenyl)-6-phenylpyrylium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4-(4-chlorophenyl)-6-phenyl-pyrylium-2-carboxylic acid ethyl ester triflate Formula: C21H16ClF3O6S MolecularWeight: 488.86135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[O+]1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[O+]1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H16ClO3.CHF3O3S/c1-2-23-20(22)19-13-16(14-8-10-17(21)11-9-14)12-18(24-19)15-6-4-3-5-7-15;2-1(3,4)8(5,6)7/h3-13H,2H2,1H3;(H,5,6,7)/q+1;/p-1