ditert-butylphosphanium; 1-isocyano-4-methyl-benzene; palladium

Systemtic Name: ditert-butylphosphanium; 1-isocyano-4-methyl-benzene; palladium Openeye Name: ditert-butylphosphonium; 1-isocyano-4-methyl-benzene; palladium CAS Name: ditert-butylphosphonium; 1-isocyano-4-methylbenzene; palladium IUPAC Name: ditert-butylphosphanium; 1-isocyano-4-methylbenzene; palladium Traditional Name: ditert-butylphosphonium; 1-isocyano-4-methyl-benzene; palladium Formula: C56H75N5P2Pd3+2 MolecularWeight: 1199.435722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.[Pd].[Pd].[Pd]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC(C)(C)[PH2+]C(C)(C)C.CC(C)(C)[PH2+]C(C)(C)C.[Pd].[Pd].[Pd]

InChI

InChI=1S/5C8H7N.2C8H19P.3Pd/c5*1-7-3-5-8(9-2)6-4-7;2*1-7(2,3)9-8(4,5)6;;;/h5*3-6H,1H3;2*9H,1-6H3;;;/p+2