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

Systemtic Name: 4-(5-bromanyl-2-ethoxy-phenyl)-4,4-bis(fluoranyl)butanoic acid Openeye Name: 4-(5-bromo-2-ethoxy-phenyl)-4,4-difluoro-butanoic acid CAS Name: 4-(5-bromo-2-ethoxyphenyl)-4,4-difluorobutanoic acid IUPAC Name: 4-(5-bromo-2-ethoxyphenyl)-4,4-difluorobutanoic acid Traditional Name: 4-(5-bromo-2-ethoxy-phenyl)-4,4-difluoro-butyric acid Formula: C12H13BrF2O3 MolecularWeight: 323.130626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrF2O3/c1-2-18-10-4-3-8(13)7-9(10)12(14,15)6-5-11(16)17/h3-4,7H,2,5-6H2,1H3,(H,16,17)