[4-(carboxymethyl)-2-fluoranyl-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(carboxymethyl)-2-fluoranyl-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(carboxymethyl)-2-fluoro-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-(carboxymethyl)-2-fluorophenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(carboxymethyl)-2-fluorophenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(carboxymethyl)-2-fluoro-benzyl]-triphenyl-phosphonium bromide Formula: C27H23BrFO2P MolecularWeight: 509.346484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)CC(=O)O)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)CC(=O)O)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H22FO2P.BrH/c28-26-18-21(19-27(29)30)16-17-22(26)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-18H,19-20H2;1H