bis[3-[(4-fluorophenyl)methyl]-4-phenylmethoxy-phenyl]iodanium tetrafluoroborate

Systemtic Name: bis[3-[(4-fluorophenyl)methyl]-4-phenylmethoxy-phenyl]iodanium tetrafluoroborate Openeye Name: bis[4-benzyloxy-3-[(4-fluorophenyl)methyl]phenyl]iodonium tetrafluoroborate CAS Name: bis[3-[(4-fluorophenyl)methyl]-4-phenylmethoxyphenyl]iodonium tetrafluoroborate IUPAC Name: bis[3-[(4-fluorophenyl)methyl]-4-phenylmethoxyphenyl]iodanium tetrafluoroborate Traditional Name: bis[4-benzoxy-3-(4-fluorobenzyl)phenyl]iodonium tetrafluoroborate Formula: C40H32BF6IO2 MolecularWeight: 796.386769

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)COC2=C(C=C(C=C2)[I+]C3=CC(=C(C=C3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CC6=CC=C(C=C6)F

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)COC2=C(C=C(C=C2)[I+]C3=CC(=C(C=C3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)F)CC6=CC=C(C=C6)F

InChI

InChI=1S/C40H32F2IO2.BF4/c41-35-15-11-29(12-16-35)23-33-25-37(19-21-39(33)44-27-31-7-3-1-4-8-31)43-38-20-22-40(45-28-32-9-5-2-6-10-32)34(26-38)24-30-13-17-36(42)18-14-30;2-1(3,4)5/h1-22,25-26H,23-24,27-28H2;/q+1;-1