ethane-1,1-diol; (4-methylphenyl)imino-triphenyl-$l^{5}-phosphane; palladium

Systemtic Name: ethane-1,1-diol; (4-methylphenyl)imino-triphenyl-$l^{5}-phosphane; palladium Openeye Name: ethane-1,1-diol; palladium; triphenyl(p-tolylimino)-$l^{5}-phosphane CAS Name: ethane-1,1-diol; (4-methylphenyl)imino-triphenylphosphorane; palladium IUPAC Name: ethane-1,1-diol; (4-methylphenyl)imino-triphenyl-$l^{5}-phosphane; palladium Traditional Name: ethane-1,1-diol; palladium; triphenyl(p-tolylimino)phosphorane Formula: C54H54N2O4P2Pd2-2 MolecularWeight: 1069.805082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=[C-]4.CC1=CC=C(C=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=[C-]4.CC(O)O.CC(O)O.[Pd].[Pd]

Isomeric SMILES

CC1=CC=C(C=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=[C-]4.CC1=CC=C(C=C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=[C-]4.CC(O)O.CC(O)O.[Pd].[Pd]

InChI

InChI=1S/2C25H21NP.2C2H6O2.2Pd/c2*1-21-17-19-22(20-18-21)26-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;2*1-2(3)4;;/h2*2-15,17-20H,1H3;2*2-4H,1H3;;/q2*-1;;;;