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

Systemtic Name: [2-(4-phenoxybutoxy)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-(4-phenoxybutoxy)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-(4-phenoxybutoxy)benzyl]-triphenyl-phosphonium bromide Formula: C35H34BrO2P MolecularWeight: 597.521021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

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