3,4-bis(trifluoromethyl)benzenesulfonate; triphenylsulfanium

Systemtic Name: 3,4-bis(trifluoromethyl)benzenesulfonate; triphenylsulfanium Openeye Name: 3,4-bis(trifluoromethyl)benzenesulfonate; triphenylsulfonium CAS Name: 3,4-bis(trifluoromethyl)benzenesulfonate; triphenylsulfonium IUPAC Name: 3,4-bis(trifluoromethyl)benzenesulfonate; triphenylsulfanium Traditional Name: 3,4-bis(trifluoromethyl)besylate; triphenylsulfonium Formula: C26H18F6O3S2 MolecularWeight: 556.539739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15S.C8H4F6O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7(10,11)5-2-1-4(18(15,16)17)3-6(5)8(12,13)14/h1-15H;1-3H,(H,15,16,17)/q+1;/p-1