5-oxidanylidene-3,4-dihydropyrrol-2-olate; palladium(2+); triphenylphosphane

Systemtic Name: 5-oxidanylidene-3,4-dihydropyrrol-2-olate; palladium(2+); triphenylphosphane Openeye Name: 5-oxo-3,4-dihydropyrrol-2-olate; palladium(2+); triphenylphosphane CAS Name: 5-oxo-3,4-dihydropyrrol-2-olate; palladium(2+); triphenylphosphine IUPAC Name: 5-oxo-3,4-dihydropyrrol-2-olate; palladium(2+); triphenylphosphane Traditional Name: 5-keto-1-pyrrolin-2-olate; palladium(2+); triphenylphosphine Formula: C44H38N2O4P2Pd MolecularWeight: 827.151042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N=C1[O-].C1CC(=O)N=C1[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

Isomeric SMILES

C1CC(=O)N=C1[O-].C1CC(=O)N=C1[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI

InChI=1S/2C18H15P.2C4H5NO2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*6-3-1-2-4(7)5-3;/h2*1-15H;2*1-2H2,(H,5,6,7);/q;;;;+2/p-2