dibutyl-[4-[2-(phenylcarbonyl)pyridin-3-yl]butyl]phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dibutyl-[4-[2-(phenylcarbonyl)pyridin-3-yl]butyl]phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: 4-(2-benzoyl-3-pyridyl)butyl-dibutyl-phosphonium; trifluoromethanesulfonate CAS Name: 4-(2-benzoyl-3-pyridinyl)butyl-dibutylphosphonium; trifluoromethanesulfonate IUPAC Name: 4-(2-benzoylpyridin-3-yl)butyl-dibutylphosphanium; trifluoromethanesulfonate Traditional Name: 4-(2-benzoyl-3-pyridyl)butyl-dibutyl-phosphonium triflate Formula: C25H35F3NO4PS MolecularWeight: 533.583671

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[PH+](CCCC)CCCCC1=C(N=CC=C1)C(=O)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[PH+](CCCC)CCCCC1=C(N=CC=C1)C(=O)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H34NOP.CHF3O3S/c1-3-5-18-27(19-6-4-2)20-11-10-13-21-16-12-17-25-23(21)24(26)22-14-8-7-9-15-22;2-1(3,4)8(5,6)7/h7-9,12,14-17H,3-6,10-11,13,18-20H2,1-2H3;(H,5,6,7)