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

Systemtic Name: [4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2-methyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-benzyloxy-3-fluoro-phenyl)-2-methyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-fluoro-4-phenylmethoxyphenyl)-2-methylphenyl] ester IUPAC Name: [4-(3-fluoro-4-phenylmethoxyphenyl)-2-methylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-benzoxy-3-fluoro-phenyl)-2-methyl-phenyl] ester Formula: C21H16F4O4S MolecularWeight: 440.407953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H16F4O4S/c1-14-11-16(7-9-19(14)29-30(26,27)21(23,24)25)17-8-10-20(18(22)12-17)28-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3