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

Systemtic Name: 4-(2-bromanyl-4,5-dimethoxy-phenyl)-4,4-bis(fluoranyl)butanoate Openeye Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4,4-difluoro-butanoate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4,4-difluorobutanoate IUPAC Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4,4-difluorobutanoate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4,4-difluoro-butyrate Formula: C12H12BrF2O4- MolecularWeight: 338.122086

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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)/p-1