2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-triethylphenyl)sulfanium

Systemtic Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-triethylphenyl)sulfanium Openeye Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-triethylphenyl)sulfonium CAS Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-triethylphenyl)sulfonium IUPAC Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-triethylphenyl)sulfanium Traditional Name: 2,4-bis(trifluoromethyl)besylate; diphenyl-(2,4,6-triethylphenyl)sulfonium Formula: C32H30F6O3S2 MolecularWeight: 640.699219

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)[S+](C2=CC=CC=C2)C3=CC=CC=C3)CC.C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)[S+](C2=CC=CC=C2)C3=CC=CC=C3)CC.C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H27S.C8H4F6O3S/c1-4-19-17-20(5-2)24(21(6-3)18-19)25(22-13-9-7-10-14-22)23-15-11-8-12-16-23;9-7(10,11)4-1-2-6(18(15,16)17)5(3-4)8(12,13)14/h7-18H,4-6H2,1-3H3;1-3H,(H,15,16,17)/q+1;/p-1