methyl 4-bromanyl-3-(trifluoromethylsulfonyl)benzoate

Systemtic Name: methyl 4-bromanyl-3-(trifluoromethylsulfonyl)benzoate Openeye Name: methyl 4-bromo-3-(trifluoromethylsulfonyl)benzoate CAS Name: 4-bromo-3-(trifluoromethylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-(trifluoromethylsulfonyl)benzoate Traditional Name: 4-bromo-3-triflyl-benzoic acid methyl ester Formula: C9H6BrF3O4S MolecularWeight: 347.10575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H6BrF3O4S/c1-17-8(14)5-2-3-6(10)7(4-5)18(15,16)9(11,12)13/h2-4H,1H3