2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphonium bromide CAS Name: 2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenylphosphanium bromide Traditional Name: 2-[3-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphonium bromide Formula: C36H36BrO2P MolecularWeight: 611.547601

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H36O2P.BrH/c1-5-17-32(18-6-1)37-27-13-14-28-38-33-19-15-16-31(30-33)26-29-39(34-20-7-2-8-21-34,35-22-9-3-10-23-35)36-24-11-4-12-25-36;/h1-12,15-25,30H,13-14,26-29H2;1H/q+1;/p-1