methyl 5-(2-bromanyl-3-methoxy-3-oxidanylidene-propyl)-2-fluoranyl-benzoate

Systemtic Name: methyl 5-(2-bromanyl-3-methoxy-3-oxidanylidene-propyl)-2-fluoranyl-benzoate Openeye Name: methyl 5-(2-bromo-3-methoxy-3-oxo-propyl)-2-fluoro-benzoate CAS Name: 5-(2-bromo-3-methoxy-3-oxopropyl)-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-(2-bromo-3-methoxy-3-oxopropyl)-2-fluorobenzoate Traditional Name: 5-(2-bromo-3-keto-3-methoxy-propyl)-2-fluoro-benzoic acid methyl ester Formula: C12H12BrFO4 MolecularWeight: 319.123683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrFO4/c1-17-11(15)8-5-7(3-4-10(8)14)6-9(13)12(16)18-2/h3-5,9H,6H2,1-2H3