(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H14BrFO4S MolecularWeight: 401.247363

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H14BrFO4S/c1-23(20,21)10-11-3-2-4-12(7-11)16(19)22-9-13-5-6-14(17)8-15(13)18/h2-8H,9-10H2,1H3