copper 4-methyl-2-(4-methylpyridin-2-yl)pyridine dihexafluorophosphate

Systemtic Name: copper 4-methyl-2-(4-methylpyridin-2-yl)pyridine dihexafluorophosphate Openeye Name: copper 4-methyl-2-(4-methyl-2-pyridyl)pyridine dihexafluorophosphate CAS Name: copper 4-methyl-2-(4-methyl-2-pyridinyl)pyridine dihexafluorophosphate IUPAC Name: copper 4-methyl-2-(4-methylpyridin-2-yl)pyridine dihexafluorophosphate Traditional Name: cupric 4-methyl-2-(4-methyl-2-pyridyl)pyridine dihexafluorophosphate Formula: C36H36CuF12N6P2 MolecularWeight: 906.1856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2]

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2]

InChI

InChI=1S/3C12H12N2.Cu.2F6P/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;2*1-7(2,3,4,5)6/h3*3-8H,1-2H3;;;/q;;;+2;2*-1