(E)-5-(3-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(3-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(3-bromo-4,5-dimethoxy-phenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(3-bromo-4,5-dimethoxyphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(3-bromo-4,5-dimethoxyphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-5-(3-bromo-4,5-dimethoxy-phenyl)-3-keto-pent-4-enoic acid Formula: C13H13BrO5 MolecularWeight: 329.14332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)CC(=O)O)Br)OC

InChI

InChI=1S/C13H13BrO5/c1-18-11-6-8(5-10(14)13(11)19-2)3-4-9(15)7-12(16)17/h3-6H,7H2,1-2H3,(H,16,17)/b4-3+