bis(4-methylphenyl)-(9-oxidanylidenexanthen-2-yl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(4-methylphenyl)-(9-oxidanylidenexanthen-2-yl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (9-oxoxanthen-2-yl)-bis(p-tolyl)sulfonium; trifluoromethanesulfonate CAS Name: bis(4-methylphenyl)-(9-oxo-2-xanthenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: bis(4-methylphenyl)-(9-oxoxanthen-2-yl)sulfanium; trifluoromethanesulfonate Traditional Name: (9-ketoxanthen-2-yl)-bis(p-tolyl)sulfonium triflate Formula: C28H21F3O5S2 MolecularWeight: 558.58855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H21O2S.CHF3O3S/c1-18-7-11-20(12-8-18)30(21-13-9-19(2)10-14-21)22-15-16-26-24(17-22)27(28)23-5-3-4-6-25(23)29-26;2-1(3,4)8(5,6)7/h3-17H,1-2H3;(H,5,6,7)/q+1;/p-1