6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate CAS Name: 6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate IUPAC Name: 6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium; trifluoromethanesulfonate Traditional Name: 6,9-dimethyl-2,4-diphenyl-5H-indeno[1,2-b]pyran-1-ium triflate Formula: C27H21F3O4S MolecularWeight: 498.51345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3=C(C2=C(C=C1)C)[O+]=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C2CC3=C(C2=C(C=C1)C)[O+]=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H21O.CHF3O3S/c1-17-13-14-18(2)25-21(17)15-23-22(19-9-5-3-6-10-19)16-24(27-26(23)25)20-11-7-4-8-12-20;2-1(3,4)8(5,6)7/h3-14,16H,15H2,1-2H3;(H,5,6,7)/q+1;/p-1