sulfanium [2,3-bis(4-methylphenyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: sulfanium [2,3-bis(4-methylphenyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: sulfonium [2,3-bis(p-tolyl)phenyl] trifluoromethanesulfonate CAS Name: sulfonium trifluoromethanesulfonic acid [2,3-bis(4-methylphenyl)phenyl] ester IUPAC Name: sulfanium [2,3-bis(4-methylphenyl)phenyl] trifluoromethanesulfonate Traditional Name: sulfonium trifluoromethanesulfonic acid [2,3-bis(p-tolyl)phenyl] ester Formula: C21H20F3O3S2+ MolecularWeight: 441.50691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)C.[SH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)C.[SH3+]

InChI

InChI=1S/C21H17F3O3S.H2S/c1-14-6-10-16(11-7-14)18-4-3-5-19(27-28(25,26)21(22,23)24)20(18)17-12-8-15(2)9-13-17;/h3-13H,1-2H3;1H2/p+1