5-(2-bromanyl-4,5-dimethoxy-phenyl)-5,5-bis(fluoranyl)pentanoic acid

Systemtic Name: 5-(2-bromanyl-4,5-dimethoxy-phenyl)-5,5-bis(fluoranyl)pentanoic acid Openeye Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-5,5-difluoro-pentanoic acid CAS Name: 5-(2-bromo-4,5-dimethoxyphenyl)-5,5-difluoropentanoic acid IUPAC Name: 5-(2-bromo-4,5-dimethoxyphenyl)-5,5-difluoropentanoic acid Traditional Name: 5-(2-bromo-4,5-dimethoxy-phenyl)-5,5-difluoro-valeric acid Formula: C13H15BrF2O4 MolecularWeight: 353.156606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CCCC(=O)O)(F)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CCCC(=O)O)(F)F)Br)OC

InChI

InChI=1S/C13H15BrF2O4/c1-19-10-6-8(9(14)7-11(10)20-2)13(15,16)5-3-4-12(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)