[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C14H13BrO6 MolecularWeight: 357.15342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OC2CCOC2=O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O[C@H]2CCOC2=O)Br)O

InChI

InChI=1S/C14H13BrO6/c1-19-11-7-8(6-9(15)13(11)17)2-3-12(16)21-10-4-5-20-14(10)18/h2-3,6-7,10,17H,4-5H2,1H3/b3-2+/t10-/m0/s1