ethanenitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; ditetrafluoroborate

Systemtic Name: ethanenitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; ditetrafluoroborate Openeye Name: acetonitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; ditetrafluoroborate CAS Name: acetonitrile; methanidyl(diphenyl)phosphine; 2-methyl-2-propanamine; palladium; ditetrafluoroborate IUPAC Name: acetonitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; ditetrafluoroborate Traditional Name: acetonitrile; tert-butylamine; methanidyl(diphenyl)phosphine; palladium; ditetrafluoroborate Formula: C34H39B2F8N3P2Pd-6 MolecularWeight: 831.670308

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)(C)N.[CH2-]C#N.[CH2-]C#N.[CH2-]P(C1=CC=CC=C1)C2=CC=CC=C2.[CH2-]P(C1=CC=CC=C1)C2=CC=CC=C2.[Pd]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)(C)N.[CH2-]C#N.[CH2-]C#N.[CH2-]P(C1=CC=CC=C1)C2=CC=CC=C2.[CH2-]P(C1=CC=CC=C1)C2=CC=CC=C2.[Pd]

InChI

InChI=1S/2C13H12P.C4H11N.2C2H2N.2BF4.Pd/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-4(2,3)5;2*1-2-3;2*2-1(3,4)5;/h2*2-11H,1H2;5H2,1-3H3;2*1H2;;;/q2*-1;;4*-1;