dicopper 3,3-bis(1-methylimidazol-2-yl)propanoate dihexafluorophosphate

Systemtic Name: dicopper 3,3-bis(1-methylimidazol-2-yl)propanoate dihexafluorophosphate Openeye Name: dicopper 3,3-bis(1-methylimidazol-2-yl)propanoate dihexafluorophosphate CAS Name: dicopper 3,3-bis(1-methyl-2-imidazolyl)propanoate dihexafluorophosphate IUPAC Name: dicopper 3,3-bis(1-methylimidazol-2-yl)propanoate dihexafluorophosphate Traditional Name: dicupric 3,3-bis(1-methylimidazol-2-yl)propionate dihexafluorophosphate Formula: C22H26Cu2F12N8O4P2 MolecularWeight: 883.5134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(CC(=O)[O-])C2=NC=CN2C.CN1C=CN=C1C(CC(=O)[O-])C2=NC=CN2C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].[Cu+2]

Isomeric SMILES

CN1C=CN=C1C(CC(=O)[O-])C2=NC=CN2C.CN1C=CN=C1C(CC(=O)[O-])C2=NC=CN2C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].[Cu+2]

InChI

InChI=1S/2C11H14N4O2.2Cu.2F6P/c2*1-14-5-3-12-10(14)8(7-9(16)17)11-13-4-6-15(11)2;;;2*1-7(2,3,4,5)6/h2*3-6,8H,7H2,1-2H3,(H,16,17);;;;/q;;2*+2;2*-1/p-2