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

Systemtic Name: 2-[4-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-[4-(4-phenoxybutoxy)phenyl]ethyl-triphenyl-phosphonium bromide CAS Name: 2-[4-(4-phenoxybutoxy)phenyl]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[4-(4-phenoxybutoxy)phenyl]ethyl-triphenylphosphanium bromide Traditional Name: 2-[4-(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=C(C=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=C(C=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

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