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

Systemtic Name: ethanenitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; diperchlorate Openeye Name: acetonitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; diperchlorate CAS Name: acetonitrile; methanidyl(diphenyl)phosphine; 2-methyl-2-propanamine; palladium; diperchlorate IUPAC Name: acetonitrile; methanidyl(diphenyl)phosphane; 2-methylpropan-2-amine; palladium; diperchlorate Traditional Name: acetonitrile; tert-butylamine; methanidyl(diphenyl)phosphine; palladium; diperchlorate Formula: C34H39Cl2N3O8P2Pd-6 MolecularWeight: 856.962282

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Descriptors Computed from Structure

Canonical SMILES:

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.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd]

Isomeric SMILES

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.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd]

InChI

InChI=1S/2C13H12P.C4H11N.2C2H2N.2ClHO4.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;2*(H,2,3,4,5);/q2*-1;;2*-1;;;/p-2