bis[3-ethanoyl-2,4-bis(phenylmethoxy)phenyl]iodanium tetrafluoroborate

Systemtic Name: bis[3-ethanoyl-2,4-bis(phenylmethoxy)phenyl]iodanium tetrafluoroborate Openeye Name: bis(3-acetyl-2,4-dibenzyloxy-phenyl)iodonium tetrafluoroborate CAS Name: bis[3-acetyl-2,4-bis(phenylmethoxy)phenyl]iodonium tetrafluoroborate IUPAC Name: bis[3-acetyl-2,4-bis(phenylmethoxy)phenyl]iodanium tetrafluoroborate Traditional Name: bis(3-acetyl-2,4-dibenzoxy-phenyl)iodonium tetrafluoroborate Formula: C44H38BF4IO6 MolecularWeight: 876.478003

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)C1=C(C=CC(=C1OCC2=CC=CC=C2)[I+]C3=C(C(=C(C=C3)OCC4=CC=CC=C4)C(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)C1=C(C=CC(=C1OCC2=CC=CC=C2)[I+]C3=C(C(=C(C=C3)OCC4=CC=CC=C4)C(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C44H38IO6.BF4/c1-31(46)41-39(48-27-33-15-7-3-8-16-33)25-23-37(43(41)50-29-35-19-11-5-12-20-35)45-38-24-26-40(49-28-34-17-9-4-10-18-34)42(32(2)47)44(38)51-30-36-21-13-6-14-22-36;2-1(3,4)5/h3-26H,27-30H2,1-2H3;/q+1;-1