3-(3-methoxycarbonylphenyl)propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-(3-methoxycarbonylphenyl)propyl-triphenyl-phosphanium bromide Openeye Name: 3-(3-methoxycarbonylphenyl)propyl-triphenyl-phosphonium bromide CAS Name: 3-(3-methoxycarbonylphenyl)propyl-triphenylphosphonium bromide IUPAC Name: 3-(3-methoxycarbonylphenyl)propyl-triphenylphosphanium bromide Traditional Name: 3-(3-carbomethoxyphenyl)propyl-triphenyl-phosphonium bromide Formula: C29H28BrO2P MolecularWeight: 519.409181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O2P.BrH/c1-31-29(30)25-15-11-13-24(23-25)14-12-22-32(26-16-5-2-6-17-26,27-18-7-3-8-19-27)28-20-9-4-10-21-28;/h2-11,13,15-21,23H,12,14,22H2,1H3;1H/q+1;/p-1