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

Systemtic Name: 2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenyl-phosphonium bromide CAS Name: 2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium bromide Traditional Name: 2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenyl-phosphonium bromide Formula: C36H36BrOP MolecularWeight: 595.548201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCC2=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)OCCCCC2=CC(=CC=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C36H36OP.BrH/c1-5-19-33(20-6-1)37-28-14-13-16-31-17-15-18-32(30-31)27-29-38(34-21-7-2-8-22-34,35-23-9-3-10-24-35)36-25-11-4-12-26-36;/h1-12,15,17-26,30H,13-14,16,27-29H2;1H/q+1;/p-1