3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenyl-phosphanium iodide

Systemtic Name: 3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenyl-phosphanium iodide Openeye Name: 3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenyl-phosphonium iodide CAS Name: 3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenylphosphonium iodide IUPAC Name: 3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenylphosphanium iodide Traditional Name: 3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl-triphenyl-phosphonium iodide Formula: C27H30IO3P MolecularWeight: 560.403531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12COC(OC1)(OC2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC12COC(OC1)(OC2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C27H30O3P.HI/c1-26-20-28-27(29-21-26,30-22-26)18-11-19-31(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25;/h2-10,12-17H,11,18-22H2,1H3;1H/q+1;/p-1