(E)-3-bromanyl-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-3-bromanyl-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-bromo-4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-bromo-4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-bromo-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-3-bromo-4-(3,4-dimethoxyphenyl)-4-keto-but-2-enoic acid Formula: C12H11BrO5 MolecularWeight: 315.11674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrO5/c1-17-9-4-3-7(5-10(9)18-2)12(16)8(13)6-11(14)15/h3-6H,1-2H3,(H,14,15)/b8-6+