(3S)-3-bromanyl-4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-bromanyl-4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-3-bromo-4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: (3S)-3-bromo-4-(4-fluorophenyl)-4-oxobutanoate IUPAC Name: (3S)-3-bromo-4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: (3S)-3-bromo-4-(4-fluorophenyl)-4-keto-butyrate Formula: C10H7BrFO3- MolecularWeight: 274.063183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CC(=O)[O-])Br)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[C@H](CC(=O)[O-])Br)F

InChI

InChI=1S/C10H8BrFO3/c11-8(5-9(13)14)10(15)6-1-3-7(12)4-2-6/h1-4,8H,5H2,(H,13,14)/p-1/t8-/m0/s1