[3-(4-phenoxybutoxy)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(4-phenoxybutoxy)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-(4-phenoxybutoxy)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [3-(4-phenoxybutoxy)benzyl]-triphenyl-phosphonium bromide Formula: C35H34BrO2P MolecularWeight: 597.521021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C35H34O2P.BrH/c1-5-17-31(18-6-1)36-26-13-14-27-37-32-19-15-16-30(28-32)29-38(33-20-7-2-8-21-33,34-22-9-3-10-23-34)35-24-11-4-12-25-35;/h1-12,15-25,28H,13-14,26-27,29H2;1H/q+1;/p-1