2,4,9-triphenyl-5,6-dihydrobenzo[h]chromen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,9-triphenyl-5,6-dihydrobenzo[h]chromen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,9-triphenyl-5,6-dihydrobenzo[h]chromen-1-ium CAS Name: trifluoromethanesulfonate; 2,4,9-triphenyl-5,6-dihydrobenzo[h][1]benzopyran-1-ium IUPAC Name: trifluoromethanesulfonate; 2,4,9-triphenyl-5,6-dihydrobenzo[h]chromen-1-ium Traditional Name: 2,4,9-triphenyl-5,6-dihydrobenzo[h]chromen-1-ium triflate Formula: C32H23F3O4S MolecularWeight: 560.58283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=CC(=C3)C4=CC=CC=C4)[O+]=C(C=C2C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC2=C(C3=C1C=CC(=C3)C4=CC=CC=C4)[O+]=C(C=C2C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H23O.CHF3O3S/c1-4-10-22(11-5-1)26-17-16-24-18-19-27-28(23-12-6-2-7-13-23)21-30(25-14-8-3-9-15-25)32-31(27)29(24)20-26;2-1(3,4)8(5,6)7/h1-17,20-21H,18-19H2;(H,5,6,7)/q+1;/p-1