[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2,5-dimethyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2,5-dimethyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-benzyloxy-3-fluoro-phenyl)-2,5-dimethyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl] ester IUPAC Name: [4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-benzoxy-3-fluoro-phenyl)-2,5-dimethyl-phenyl] ester Formula: C22H18F4O4S MolecularWeight: 454.434533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H18F4O4S/c1-14-11-21(30-31(27,28)22(24,25)26)15(2)10-18(14)17-8-9-20(19(23)12-17)29-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3