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

Systemtic Name: 5-(5-bromanyl-2-ethoxy-phenyl)-5,5-bis(fluoranyl)pentanoic acid Openeye Name: 5-(5-bromo-2-ethoxy-phenyl)-5,5-difluoro-pentanoic acid CAS Name: 5-(5-bromo-2-ethoxyphenyl)-5,5-difluoropentanoic acid IUPAC Name: 5-(5-bromo-2-ethoxyphenyl)-5,5-difluoropentanoic acid Traditional Name: 5-(5-bromo-2-ethoxy-phenyl)-5,5-difluoro-valeric acid Formula: C13H15BrF2O3 MolecularWeight: 337.157206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrF2O3/c1-2-19-11-6-5-9(14)8-10(11)13(15,16)7-3-4-12(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)