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

Systemtic Name: 4-(2-bromanyl-4,5-dimethoxy-phenyl)-4,4-bis(fluoranyl)butanoic acid Openeye Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4,4-difluoro-butanoic acid CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4,4-difluorobutanoic acid IUPAC Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4,4-difluorobutanoic acid Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4,4-difluoro-butyric acid Formula: C12H13BrF2O4 MolecularWeight: 339.130026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrF2O4/c1-18-9-5-7(8(13)6-10(9)19-2)12(14,15)4-3-11(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)