(2-bromanyl-5-methoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-bromo-5-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-bromo-5-methoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-bromo-5-methoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-bromo-5-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C26H23Br2OP MolecularWeight: 542.241981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H23BrOP.BrH/c1-28-22-17-18-26(27)21(19-22)20-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-19H,20H2,1H3;1H/q+1;/p-1