(2,5-dimethoxyphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2,5-dimethoxyphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2,5-dimethoxyphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2,5-dimethoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2,5-dimethoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2,5-dimethoxybenzyl)-triphenyl-phosphonium bromide Formula: C27H26BrO2P MolecularWeight: 493.371901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26O2P.BrH/c1-28-23-18-19-27(29-2)22(20-23)21-30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-20H,21H2,1-2H3;1H/q+1;/p-1