2-(4-bromanyl-3-fluoranyl-phenyl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(4-bromanyl-3-fluoranyl-phenyl)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(4-bromo-3-fluoro-phenyl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(4-bromo-3-fluorophenyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(4-bromo-3-fluorophenyl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(4-bromo-3-fluoro-phenyl)ethyl-triphenyl-phosphonium bromide Formula: C26H22Br2FP MolecularWeight: 544.233044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCC2=CC(=C(C=C2)Br)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCC2=CC(=C(C=C2)Br)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H22BrFP.BrH/c27-25-17-16-21(20-26(25)28)18-19-29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-17,20H,18-19H2;1H/q+1;/p-1