[3-(2-phenylsulfanylethyl)-2-(trifluoromethylsulfonyloxy)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-phenylsulfanylethyl)-2-(trifluoromethylsulfonyloxy)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-phenylsulfanylethyl)-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[2-(phenylthio)ethyl]-2-(trifluoromethylsulfonyloxy)phenyl] ester IUPAC Name: [3-(2-phenylsulfanylethyl)-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-[2-(phenylthio)ethyl]-2-triflyloxy-phenyl] ester Formula: C16H12F6O6S3 MolecularWeight: 510.448299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H12F6O6S3/c17-15(18,19)30(23,24)27-13-8-4-5-11(9-10-29-12-6-2-1-3-7-12)14(13)28-31(25,26)16(20,21)22/h1-8H,9-10H2