5-(5-bromanyl-2-methoxy-phenyl)-5,5-bis(fluoranyl)pentanoate

Systemtic Name: 5-(5-bromanyl-2-methoxy-phenyl)-5,5-bis(fluoranyl)pentanoate Openeye Name: 5-(5-bromo-2-methoxy-phenyl)-5,5-difluoro-pentanoate CAS Name: 5-(5-bromo-2-methoxyphenyl)-5,5-difluoropentanoate IUPAC Name: 5-(5-bromo-2-methoxyphenyl)-5,5-difluoropentanoate Traditional Name: 5-(5-bromo-2-methoxy-phenyl)-5,5-difluoro-valerate Formula: C12H12BrF2O3- MolecularWeight: 322.122686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(CCCC(=O)[O-])(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(CCCC(=O)[O-])(F)F

InChI

InChI=1S/C12H13BrF2O3/c1-18-10-5-4-8(13)7-9(10)12(14,15)6-2-3-11(16)17/h4-5,7H,2-3,6H2,1H3,(H,16,17)/p-1