4-(2-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4-oxo-butanoic acid CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4-keto-butyric acid Formula: C12H13BrO5 MolecularWeight: 317.13262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO5/c1-17-10-5-7(8(13)6-11(10)18-2)9(14)3-4-12(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)