copper 1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)propan-1-olate

Systemtic Name: copper 1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)propan-1-olate Openeye Name: copper 1-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)propan-1-olate CAS Name: copper 1-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-propanolate IUPAC Name: copper 1-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)propan-1-olate Traditional Name: cupric 1-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)propan-1-olate Formula: C26H26CuN4O4 MolecularWeight: 522.05504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)[O-].CCC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)[O-].[Cu+2]

Isomeric SMILES

CCC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)[O-].CCC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)[O-].[Cu+2]

InChI

InChI=1S/2C13H14N2O2.Cu/c2*1-3-11(16)12-9(2)14-15(13(12)17)10-7-5-4-6-8-10;/h2*4-8,16H,3H2,1-2H3;/q;;+2/p-2