N5,N6-bis(3,4-diethylphenyl)henicos-7-yne-5,6-diimine; palladium(2+); 7-propylnaphthalene-1,2-diolate

Systemtic Name: N5,N6-bis(3,4-diethylphenyl)henicos-7-yne-5,6-diimine; palladium(2+); 7-propylnaphthalene-1,2-diolate Openeye Name: N5,N6-bis(3,4-diethylphenyl)henicos-7-yne-5,6-diimine; palladium(2+); 7-propylnaphthalene-1,2-diolate CAS Name: N5,N6-bis(3,4-diethylphenyl)-7-heneicosyne-5,6-diimine; palladium(2+); 7-propylnaphthalene-1,2-diolate IUPAC Name: 5-N,6-N-bis(3,4-diethylphenyl)henicos-7-yne-5,6-diimine; palladium(2+); 7-propylnaphthalene-1,2-diolate Traditional Name: 1-[C-butyl-N-(3,4-diethylphenyl)carbonimidoyl]hexadec-2-ynylidene-(3,4-diethylphenyl)amine; palladium(2+); 7-propylnaphthalene-1,2-diolate Formula: C54H74N2O2Pd MolecularWeight: 889.59756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(=NC1=CC(=C(C=C1)CC)CC)C(=NC2=CC(=C(C=C2)CC)CC)CCCC.CCCC1=CC2=C(C=C1)C=CC(=C2[O-])[O-].[Pd+2]

Isomeric SMILES

CCCCCCCCCCCCCC#CC(=NC1=CC(=C(C=C1)CC)CC)C(=NC2=CC(=C(C=C2)CC)CC)CCCC.CCCC1=CC2=C(C=C1)C=CC(=C2[O-])[O-].[Pd+2]

InChI

InChI=1S/C41H62N2.C13H14O2.Pd/c1-7-13-15-16-17-18-19-20-21-22-23-24-25-27-41(43-39-31-29-35(10-4)37(12-6)33-39)40(26-14-8-2)42-38-30-28-34(9-3)36(11-5)32-38;1-2-3-9-4-5-10-6-7-12(14)13(15)11(10)8-9;/h28-33H,7-24,26H2,1-6H3;4-8,14-15H,2-3H2,1H3;/q;;+2/p-2