[3-methoxycarbonyl-6-(trifluoromethyl)pyridin-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-methoxycarbonyl-6-(trifluoromethyl)pyridin-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-methoxycarbonyl-6-(trifluoromethyl)pyridin-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-carbomethoxy-6-(trifluoromethyl)-2-pyridyl]methyl-triphenyl-phosphonium bromide Formula: C27H22BrF3NO2P MolecularWeight: 560.342051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22F3NO2P.BrH/c1-33-26(32)23-17-18-25(27(28,29)30)31-24(23)19-34(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-18H,19H2,1H3;1H/q+1;/p-1