[4-octadecoxy-2-(phenylmethyl)phenyl]iodanium tetrafluoroborate

Systemtic Name: [4-octadecoxy-2-(phenylmethyl)phenyl]iodanium tetrafluoroborate Openeye Name: (2-benzyl-4-octadecoxy-phenyl)iodonium tetrafluoroborate CAS Name: [4-octadecoxy-2-(phenylmethyl)phenyl]iodonium tetrafluoroborate IUPAC Name: (2-benzyl-4-octadecoxyphenyl)iodanium tetrafluoroborate Traditional Name: (2-benzyl-4-stearyloxy-phenyl)iodonium tetrafluoroborate Formula: C31H48BF4IO MolecularWeight: 650.421303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[IH+])CC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[IH+])CC2=CC=CC=C2

InChI

InChI=1S/C31H48IO.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-30-23-24-31(32)29(27-30)26-28-21-18-17-19-22-28;2-1(3,4)5/h17-19,21-24,27,32H,2-16,20,25-26H2,1H3;/q+1;-1