[3-(dimethoxymethyl)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(dimethoxymethyl)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-(dimethoxymethyl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-(dimethoxymethyl)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-(dimethoxymethyl)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [3-(dimethoxymethyl)benzyl]-triphenyl-phosphonium bromide Formula: C28H28BrO2P MolecularWeight: 507.398481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28O2P.BrH/c1-29-28(30-2)24-14-12-13-23(21-24)22-31(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27;/h3-21,28H,22H2,1-2H3;1H/q+1;/p-1