5-(4-bromanyl-3,5-dimethoxy-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-bromanyl-3,5-dimethoxy-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-bromo-3,5-dimethoxy-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(4-bromo-3,5-dimethoxyphenyl)-5-oxopentanoic acid IUPAC Name: 5-(4-bromo-3,5-dimethoxyphenyl)-5-oxopentanoic acid Traditional Name: 5-(4-bromo-3,5-dimethoxy-phenyl)-5-keto-valeric acid Formula: C13H15BrO5 MolecularWeight: 331.1592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)CCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H15BrO5/c1-18-10-6-8(7-11(19-2)13(10)14)9(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)