[(E)-4-(4-fluoranylphenoxy)-4-oxidanylidene-but-2-enyl] (2S)-2-(bromomethyl)butanoate

Systemtic Name: [(E)-4-(4-fluoranylphenoxy)-4-oxidanylidene-but-2-enyl] (2S)-2-(bromomethyl)butanoate Openeye Name: [(E)-4-(4-fluorophenoxy)-4-oxo-but-2-enyl] (2S)-2-(bromomethyl)butanoate CAS Name: (2S)-2-(bromomethyl)butanoic acid [(E)-4-(4-fluorophenoxy)-4-oxobut-2-enyl] ester IUPAC Name: [(E)-4-(4-fluorophenoxy)-4-oxobut-2-enyl] (2S)-2-(bromomethyl)butanoate Traditional Name: (2S)-2-(bromomethyl)butyric acid [(E)-4-(4-fluorophenoxy)-4-keto-but-2-enyl] ester Formula: C15H16BrFO4 MolecularWeight: 359.187543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CBr)C(=O)OCC=CC(=O)OC1=CC=C(C=C1)F

Isomeric SMILES

CC[C@H](CBr)C(=O)OC/C=C/C(=O)OC1=CC=C(C=C1)F

InChI

InChI=1S/C15H16BrFO4/c1-2-11(10-16)15(19)20-9-3-4-14(18)21-13-7-5-12(17)6-8-13/h3-8,11H,2,9-10H2,1H3/b4-3+/t11-/m1/s1