(6-bromanyl-2,3-dimethoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (6-bromanyl-2,3-dimethoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-bromo-2,3-dimethoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (6-bromo-2,3-dimethoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (6-bromo-2,3-dimethoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (6-bromo-2,3-dimethoxy-benzyl)-triphenyl-phosphonium bromide Formula: C27H25Br2O2P MolecularWeight: 572.267961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrO2P.BrH/c1-29-26-19-18-25(28)24(27(26)30-2)20-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-19H,20H2,1-2H3;1H/q+1;/p-1