2,9-dimethyl-1,10-phenanthroline; palladium(2+); tris(fluoranyl)methanesulfonate; diethanoate

Systemtic Name: 2,9-dimethyl-1,10-phenanthroline; palladium(2+); tris(fluoranyl)methanesulfonate; diethanoate Openeye Name: 2,9-dimethyl-1,10-phenanthroline; palladium(2+); trifluoromethanesulfonate; diacetate CAS Name: 2,9-dimethyl-1,10-phenanthroline; palladium(2+); trifluoromethanesulfonate; diacetate IUPAC Name: 2,9-dimethyl-1,10-phenanthroline; palladium(2+); trifluoromethanesulfonate; diacetate Traditional Name: 2,9-dimethyl-1,10-phenanthroline; palladium(2+); diacetate; ditriflate Formula: C34H30F6N4O10Pd2S2 MolecularWeight: 1045.583219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(=O)[O-].CC(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2].[Pd+2]

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(=O)[O-].CC(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2].[Pd+2]

InChI

InChI=1S/2C14H12N2.2C2H4O2.2CHF3O3S.2Pd/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*1-2(3)4;2*2-1(3,4)8(5,6)7;;/h2*3-8H,1-2H3;2*1H3,(H,3,4);2*(H,5,6,7);;/q;;;;;;2*+2/p-4