4-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-bis(fluoranyl)butanoic acid

Systemtic Name: 4-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-bis(fluoranyl)butanoic acid Openeye Name: 4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-difluoro-butanoic acid CAS Name: 4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-difluorobutanoic acid IUPAC Name: 4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-difluorobutanoic acid Traditional Name: 4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4,4-difluoro-butyric acid Formula: C13H13BrF2O4 MolecularWeight: 351.140726

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(CCC(=O)O)(F)F)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(CCC(=O)O)(F)F)Br)OC1

InChI

InChI=1S/C13H13BrF2O4/c14-9-7-11-10(19-4-1-5-20-11)6-8(9)13(15,16)3-2-12(17)18/h6-7H,1-5H2,(H,17,18)