[(1R,2S)-2-bromanyl-3-methoxy-3-oxidanylidene-1-phenyl-propyl] butanoate

Systemtic Name: [(1R,2S)-2-bromanyl-3-methoxy-3-oxidanylidene-1-phenyl-propyl] butanoate Openeye Name: [(1R,2S)-2-bromo-3-methoxy-3-oxo-1-phenyl-propyl] butanoate CAS Name: butanoic acid [(1R,2S)-2-bromo-3-methoxy-3-oxo-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-bromo-3-methoxy-3-oxo-1-phenylpropyl] butanoate Traditional Name: butyric acid [(1R,2S)-2-bromo-3-keto-3-methoxy-1-phenyl-propyl] ester Formula: C14H17BrO4 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C1=CC=CC=C1)C(C(=O)OC)Br

Isomeric SMILES

CCCC(=O)O[C@H](C1=CC=CC=C1)[C@@H](C(=O)OC)Br

InChI

InChI=1S/C14H17BrO4/c1-3-7-11(16)19-13(12(15)14(17)18-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3/t12-,13+/m0/s1