6-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxy-7aH-2-benzofuran-1-one

Systemtic Name: 6-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxy-7aH-2-benzofuran-1-one Openeye Name: 6-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]oxy]-7aH-isobenzofuran-1-one CAS Name: 6-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinyl]oxy]-7aH-isobenzofuran-1-one IUPAC Name: 6-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxy-7aH-2-benzofuran-1-one Traditional Name: 6-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]oxy]-7aH-isobenzofuran-1-one Formula: C28H20F4N2O6 MolecularWeight: 556.461813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=COC(=O)C2C=C1OC3=NC=C(C=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC(=C(C=C5)OC(F)F)OC(F)F

Isomeric SMILES

C1=CC2=COC(=O)C2C=C1OC3=NC=C(C=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC(=C(C=C5)OC(F)F)OC(F)F

InChI

InChI=1S/C28H20F4N2O6/c29-27(30)39-23-5-2-17(12-24(23)40-28(31)32)21(11-16-7-9-34(36)10-8-16)18-3-6-25(33-14-18)38-20-4-1-19-15-37-26(35)22(19)13-20/h1-10,12-15,21-22,27-28H,11H2