aniline; ethanenitrile; methanidyl(diphenyl)phosphane; palladium; diperchlorate

Systemtic Name: aniline; ethanenitrile; methanidyl(diphenyl)phosphane; palladium; diperchlorate Openeye Name: acetonitrile; aniline; methanidyl(diphenyl)phosphane; palladium; diperchlorate CAS Name: acetonitrile; aniline; methanidyl(diphenyl)phosphine; palladium; diperchlorate IUPAC Name: acetonitrile; aniline; methanidyl(diphenyl)phosphane; palladium; diperchlorate Traditional Name: acetonitrile; methanidyl(diphenyl)phosphine; palladium; phenylamine; diperchlorate Formula: C36H35Cl2N3O8P2Pd-6 MolecularWeight: 876.951922

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Descriptors Computed from Structure

Canonical SMILES:

[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.C1=CC=C(C=C1)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd]

Isomeric SMILES

[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.C1=CC=C(C=C1)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pd]

InChI

InChI=1S/2C13H12P.C6H7N.2C2H2N.2ClHO4.Pd/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;7-6-4-2-1-3-5-6;2*1-2-3;2*2-1(3,4)5;/h2*2-11H,1H2;1-5H,7H2;2*1H2;2*(H,2,3,4,5);/q2*-1;;2*-1;;;/p-2