[3-(3,4-dimethoxyphenyl)-3-oxidanyl-propyl]-triphenyl-phosphanium bromide

Systemtic Name: [3-(3,4-dimethoxyphenyl)-3-oxidanyl-propyl]-triphenyl-phosphanium bromide Openeye Name: [3-(3,4-dimethoxyphenyl)-3-hydroxy-propyl]-triphenyl-phosphonium bromide CAS Name: [3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphonium bromide IUPAC Name: [3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium bromide Traditional Name: [3-(3,4-dimethoxyphenyl)-3-hydroxy-propyl]-triphenyl-phosphonium bromide Formula: C29H30BrO3P MolecularWeight: 537.424461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30O3P.BrH/c1-31-28-19-18-23(22-29(28)32-2)27(30)20-21-33(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-19,22,27,30H,20-21H2,1-2H3;1H/q+1;/p-1