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

Systemtic Name: 4-(2-bromanyl-4,5-diethoxy-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-4,5-diethoxy-phenyl)-4-oxo-butanoic acid CAS Name: 4-(2-bromo-4,5-diethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-4,5-diethoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-(2-bromo-4,5-diethoxy-phenyl)-4-keto-butyric acid Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)CCC(=O)O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)CCC(=O)O)Br)OCC

InChI

InChI=1S/C14H17BrO5/c1-3-19-12-7-9(11(16)5-6-14(17)18)10(15)8-13(12)20-4-2/h7-8H,3-6H2,1-2H3,(H,17,18)