(2-fluoranyl-3-octoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-fluoranyl-3-octoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-fluoro-3-octoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-fluoro-3-octoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-fluoro-3-octoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-fluoro-3-octoxy-benzyl)-triphenyl-phosphonium bromide Formula: C33H37BrFOP MolecularWeight: 579.522444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1F)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1F)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C33H37FOP.BrH/c1-2-3-4-5-6-16-26-35-32-25-17-18-28(33(32)34)27-36(29-19-10-7-11-20-29,30-21-12-8-13-22-30)31-23-14-9-15-24-31;/h7-15,17-25H,2-6,16,26-27H2,1H3;1H/q+1;/p-1