[2-fluoranyl-6-(prop-2-enoylamino)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-fluoranyl-6-(prop-2-enoylamino)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-fluoro-6-(prop-2-enoylamino)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-fluoro-6-(1-oxoprop-2-enylamino)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-fluoro-6-(prop-2-enoylamino)phenyl]methyl-triphenylphosphanium bromide Traditional Name: (2-acrylamido-6-fluoro-benzyl)-triphenyl-phosphonium bromide Formula: C28H24BrFNOP MolecularWeight: 520.372424

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=C(C(=CC=C1)F)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C=CC(=O)NC1=C(C(=CC=C1)F)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H23FNOP.BrH/c1-2-28(31)30-27-20-12-19-26(29)25(27)21-32(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24;/h2-20H,1,21H2;1H