4-(trifluoromethyl)benzenesulfonate; tris(4-methoxyphenyl)sulfanium

Systemtic Name: 4-(trifluoromethyl)benzenesulfonate; tris(4-methoxyphenyl)sulfanium Openeye Name: 4-(trifluoromethyl)benzenesulfonate; tris(4-methoxyphenyl)sulfonium CAS Name: 4-(trifluoromethyl)benzenesulfonate; tris(4-methoxyphenyl)sulfonium IUPAC Name: 4-(trifluoromethyl)benzenesulfonate; tris(4-methoxyphenyl)sulfanium Traditional Name: 4-(trifluoromethyl)besylate; tris(4-methoxyphenyl)sulfonium Formula: C28H25F3O6S2 MolecularWeight: 578.61971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21O3S.C7H5F3O3S/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h4-15H,1-3H3;1-4H,(H,11,12,13)/q+1;/p-1