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

Systemtic Name: (3-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-bromo-2-hydroxy-5-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-bromo-2-hydroxy-5-methoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-bromo-2-hydroxy-5-methoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-bromo-2-hydroxy-5-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C26H23Br2O2P MolecularWeight: 558.241381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrO2P.BrH/c1-29-21-17-20(26(28)25(27)18-21)19-30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-18H,19H2,1H3;1H