(E)-4-[5-(2-bromanylethanoyl)-3-methoxy-2-oxidanyl-phenyl]but-2-enoic acid

Systemtic Name: (E)-4-[5-(2-bromanylethanoyl)-3-methoxy-2-oxidanyl-phenyl]but-2-enoic acid Openeye Name: (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxy-phenyl]but-2-enoic acid CAS Name: (E)-4-[5-(2-bromo-1-oxoethyl)-2-hydroxy-3-methoxyphenyl]-2-butenoic acid IUPAC Name: (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxyphenyl]but-2-enoic acid Traditional Name: (E)-4-[5-(2-bromoacetyl)-2-hydroxy-3-methoxy-phenyl]but-2-enoic acid Formula: C13H13BrO5 MolecularWeight: 329.14332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=CC(=O)O)C(=O)CBr

Isomeric SMILES

COC1=CC(=CC(=C1O)C/C=C/C(=O)O)C(=O)CBr

InChI

InChI=1S/C13H13BrO5/c1-19-11-6-9(10(15)7-14)5-8(13(11)18)3-2-4-12(16)17/h2,4-6,18H,3,7H2,1H3,(H,16,17)/b4-2+