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

Systemtic Name: aniline; ethanenitrile; methanidyl(diphenyl)phosphane; palladium; ditetrafluoroborate Openeye Name: acetonitrile; aniline; methanidyl(diphenyl)phosphane; palladium; ditetrafluoroborate CAS Name: acetonitrile; aniline; methanidyl(diphenyl)phosphine; palladium; ditetrafluoroborate IUPAC Name: acetonitrile; aniline; methanidyl(diphenyl)phosphane; palladium; ditetrafluoroborate Traditional Name: acetonitrile; methanidyl(diphenyl)phosphine; palladium; phenylamine; ditetrafluoroborate Formula: C36H35B2F8N3P2Pd-6 MolecularWeight: 851.659948

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[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.[Pd]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[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.[Pd]

InChI

InChI=1S/2C13H12P.C6H7N.2C2H2N.2BF4.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;;;/q2*-1;;4*-1;