[4-(3-fluoranyl-4-methylsulfonyloxy-phenyl)-2-methanoyl-3,6-dimethoxy-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(3-fluoranyl-4-methylsulfonyloxy-phenyl)-2-methanoyl-3,6-dimethoxy-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(3-fluoro-4-methylsulfonyloxy-phenyl)-2-formyl-3,6-dimethoxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-fluoro-4-methylsulfonyloxyphenyl)-2-formyl-3,6-dimethoxyphenyl] ester IUPAC Name: [4-(3-fluoro-4-methylsulfonyloxyphenyl)-2-formyl-3,6-dimethoxyphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(3-fluoro-4-methylsulfonyloxy-phenyl)-2-formyl-3,6-dimethoxy-phenyl] ester Formula: C17H14F4O9S2 MolecularWeight: 502.411273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C)F)OC)C=O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C)F)OC)C=O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H14F4O9S2/c1-27-14-7-10(9-4-5-13(12(18)6-9)29-31(3,23)24)15(28-2)11(8-22)16(14)30-32(25,26)17(19,20)21/h4-8H,1-3H3