1-[3,4-bis(fluoranyl)phenyl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(3,4-difluorophenyl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(3,4-difluorophenyl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(3,4-difluorophenyl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(3,4-difluorophenyl)ethyl-triphenyl-phosphonium bromide Formula: C26H22BrF2P MolecularWeight: 483.327447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22F2P.BrH/c1-20(21-17-18-25(27)26(28)19-21)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-20H,1H3;1H/q+1;/p-1