(2-bromanyl-4-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C16H14BrFO4S MolecularWeight: 401.247363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C16H14BrFO4S/c1-10-3-6-13(23(2,20)21)8-14(10)16(19)22-9-11-4-5-12(18)7-15(11)17/h3-8H,9H2,1-2H3