[1-phenoxybutoxy(phenyl)methyl]-triphenyl-phosphanium bromide

Systemtic Name: [1-phenoxybutoxy(phenyl)methyl]-triphenyl-phosphanium bromide Openeye Name: [1-phenoxybutoxy(phenyl)methyl]-triphenyl-phosphonium bromide CAS Name: [1-phenoxybutoxy(phenyl)methyl]-triphenylphosphonium bromide IUPAC Name: [1-phenoxybutoxy(phenyl)methyl]-triphenylphosphanium bromide Traditional Name: [1-phenoxybutoxy(phenyl)methyl]-triphenyl-phosphonium bromide Formula: C35H34BrO2P MolecularWeight: 597.521021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=CC=CC=C1)OC(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCCC(OC1=CC=CC=C1)OC(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C35H34O2P.BrH/c1-2-18-34(36-30-21-10-4-11-22-30)37-35(29-19-8-3-9-20-29)38(31-23-12-5-13-24-31,32-25-14-6-15-26-32)33-27-16-7-17-28-33;/h3-17,19-28,34-35H,2,18H2,1H3;1H/q+1;/p-1