4-(2-methanoylphenoxy)butyl-triphenyl-phosphanium bromide

Systemtic Name: 4-(2-methanoylphenoxy)butyl-triphenyl-phosphanium bromide Openeye Name: 4-(2-formylphenoxy)butyl-triphenyl-phosphonium bromide CAS Name: 4-(2-formylphenoxy)butyl-triphenylphosphonium bromide IUPAC Name: 4-(2-formylphenoxy)butyl-triphenylphosphanium bromide Traditional Name: 4-(2-formylphenoxy)butyl-triphenyl-phosphonium bromide Formula: C29H28BrO2P MolecularWeight: 519.409181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCCOC2=CC=CC=C2C=O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCCOC2=CC=CC=C2C=O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H28O2P.BrH/c30-24-25-14-10-11-21-29(25)31-22-12-13-23-32(26-15-4-1-5-16-26,27-17-6-2-7-18-27)28-19-8-3-9-20-28;/h1-11,14-21,24H,12-13,22-23H2;1H/q+1;/p-1