(4-methoxycarbonylphenyl)-diphenyl-[[3-(trifluoromethylsulfonyloxy)phenyl]methyl]phosphanium bromide

Systemtic Name: (4-methoxycarbonylphenyl)-diphenyl-[[3-(trifluoromethylsulfonyloxy)phenyl]methyl]phosphanium bromide Openeye Name: (4-methoxycarbonylphenyl)-diphenyl-[[3-(trifluoromethylsulfonyloxy)phenyl]methyl]phosphonium bromide CAS Name: (4-methoxycarbonylphenyl)-diphenyl-[[3-(trifluoromethylsulfonyloxy)phenyl]methyl]phosphonium bromide IUPAC Name: (4-methoxycarbonylphenyl)-diphenyl-[[3-(trifluoromethylsulfonyloxy)phenyl]methyl]phosphanium bromide Traditional Name: (4-carbomethoxyphenyl)-diphenyl-(3-triflyloxybenzyl)phosphonium bromide Formula: C28H23BrF3O5PS MolecularWeight: 639.417191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H23F3O5PS.BrH/c1-35-27(32)22-15-17-26(18-16-22)37(24-11-4-2-5-12-24,25-13-6-3-7-14-25)20-21-9-8-10-23(19-21)36-38(33,34)28(29,30)31;/h2-19H,20H2,1H3;1H/q+1;/p-1