copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; furan-2-carboxylate

Systemtic Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; furan-2-carboxylate Openeye Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; furan-2-carboxylate CAS Name: copper; 1,5-dimethyl-2-phenyl-3-pyrazolone; 2-furancarboxylate IUPAC Name: copper; 1,5-dimethyl-2-phenylpyrazol-3-one; furan-2-carboxylate Traditional Name: cupric antipyrine di2-furoate Formula: C21H18CuN2O7 MolecularWeight: 473.92282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=COC(=C1)C(=O)[O-].C1=COC(=C1)C(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=COC(=C1)C(=O)[O-].C1=COC(=C1)C(=O)[O-].[Cu+2]

InChI

InChI=1S/C11H12N2O.2C5H4O3.Cu/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*6-5(7)4-2-1-3-8-4;/h3-8H,1-2H3;2*1-3H,(H,6,7);/q;;;+2/p-2