(2-bromanyl-3,5-dimethoxy-phenyl)methyl-triphenyl-phosphanium iodide

Systemtic Name: (2-bromanyl-3,5-dimethoxy-phenyl)methyl-triphenyl-phosphanium iodide Openeye Name: (2-bromo-3,5-dimethoxy-phenyl)methyl-triphenyl-phosphonium iodide CAS Name: (2-bromo-3,5-dimethoxyphenyl)methyl-triphenylphosphonium iodide IUPAC Name: (2-bromo-3,5-dimethoxyphenyl)methyl-triphenylphosphanium iodide Traditional Name: (2-bromo-3,5-dimethoxy-benzyl)-triphenyl-phosphonium iodide Formula: C27H25BrIO2P MolecularWeight: 619.268431

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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)Br)OC.[I-]

Isomeric SMILES

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

InChI

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