2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate CAS Name: 2,4-diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium; trifluoromethanesulfonate IUPAC Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate Traditional Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium triflate Formula: C22H19F3O4S MolecularWeight: 436.44407

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H19O.CHF3O3S/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;2-1(3,4)8(5,6)7/h1-6,9-12,15H,7-8,13-14H2;(H,5,6,7)/q+1;/p-1