6-(5-bromanyl-2-methoxy-phenyl)-6,6-bis(fluoranyl)hexanoic acid

Systemtic Name: 6-(5-bromanyl-2-methoxy-phenyl)-6,6-bis(fluoranyl)hexanoic acid Openeye Name: 6-(5-bromo-2-methoxy-phenyl)-6,6-difluoro-hexanoic acid CAS Name: 6-(5-bromo-2-methoxyphenyl)-6,6-difluorohexanoic acid IUPAC Name: 6-(5-bromo-2-methoxyphenyl)-6,6-difluorohexanoic acid Traditional Name: 6-(5-bromo-2-methoxy-phenyl)-6,6-difluoro-hexanoic acid Formula: C13H15BrF2O3 MolecularWeight: 337.157206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(CCCCC(=O)O)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(CCCCC(=O)O)(F)F

InChI

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