methyl 4-[4-phenyl-3-(trifluoromethylsulfonyloxy)phenyl]benzoate

Systemtic Name: methyl 4-[4-phenyl-3-(trifluoromethylsulfonyloxy)phenyl]benzoate Openeye Name: methyl 4-[4-phenyl-3-(trifluoromethylsulfonyloxy)phenyl]benzoate CAS Name: 4-[4-phenyl-3-(trifluoromethylsulfonyloxy)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-phenyl-3-(trifluoromethylsulfonyloxy)phenyl]benzoate Traditional Name: 4-(4-phenyl-3-triflyloxy-phenyl)benzoic acid methyl ester Formula: C21H15F3O5S MolecularWeight: 436.40101

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H15F3O5S/c1-28-20(25)16-9-7-14(8-10-16)17-11-12-18(15-5-3-2-4-6-15)19(13-17)29-30(26,27)21(22,23)24/h2-13H,1H3