[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-(2,5-dimethoxyphenyl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C28H26BrO3P MolecularWeight: 521.382001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26O3P.BrH/c1-30-22-18-19-28(31-2)26(20-22)27(29)21-32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-20H,21H2,1-2H3;1H/q+1;/p-1