nickel(2+); (Z)-1,1,1-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-olate; dihydrate

Systemtic Name: nickel(2+); (Z)-1,1,1-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-olate; dihydrate Openeye Name: nickelous (Z)-1,1,1-trifluoro-4-oxo-pent-2-en-2-olate dihydrate CAS Name: nickel(2+); (Z)-1,1,1-trifluoro-4-oxo-2-penten-2-olate; dihydrate IUPAC Name: nickel(2+); (Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate; dihydrate Traditional Name: nickelous (Z)-1,1,1-trifluoro-4-keto-pent-2-en-2-olate dihydrate Formula: C10H12F6NiO6 MolecularWeight: 400.882499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].O.O.[Ni+2]

Isomeric SMILES

CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.O.O.[Ni+2]

InChI

InChI=1S/2C5H5F3O2.Ni.2H2O/c2*1-3(9)2-4(10)5(6,7)8;;;/h2*2,10H,1H3;;2*1H2/q;;+2;;/p-2/b2*4-2-;;;