ethanenitrile; 2-methylsulfanylethyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate

Systemtic Name: ethanenitrile; 2-methylsulfanylethyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate Openeye Name: acetonitrile; 2-methylsulfanylethyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate CAS Name: acetonitrile; 2-(methylthio)ethyl-diphenylphosphine; palladium(2+); ditetrafluoroborate IUPAC Name: acetonitrile; 2-methylsulfanylethyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate Traditional Name: acetonitrile; 2-(methylthio)ethyl-diphenyl-phosphine; palladium(2+); ditetrafluoroborate Formula: C19H23B2F8N2PPdS MolecularWeight: 622.467307

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CSCCP(C1=CC=CC=C1)C2=CC=CC=C2.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CSCCP(C1=CC=CC=C1)C2=CC=CC=C2.[Pd+2]

InChI

InChI=1S/C15H17PS.2C2H3N.2BF4.Pd/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;2*1-2-3;2*2-1(3,4)5;/h2-11H,12-13H2,1H3;2*1H3;;;/q;;;2*-1;+2