[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2-methoxy-5-methyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2-methoxy-5-methyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-benzyloxy-3-fluoro-phenyl)-2-methoxy-5-methyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] ester IUPAC Name: [4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-benzoxy-3-fluoro-phenyl)-2-methoxy-5-methyl-phenyl] ester Formula: C22H18F4O5S MolecularWeight: 470.433933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18F4O5S/c1-14-10-21(31-32(27,28)22(24,25)26)20(29-2)12-17(14)16-8-9-19(18(23)11-16)30-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3