copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-methoxybenzoate

Systemtic Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-methoxybenzoate Openeye Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-methoxybenzoate CAS Name: copper; 1,5-dimethyl-2-phenyl-3-pyrazolone; 4-methoxybenzoate IUPAC Name: copper; 1,5-dimethyl-2-phenylpyrazol-3-one; 4-methoxybenzoate Traditional Name: cupric; antipyrine; 4-methoxybenzoate Formula: C27H26CuN2O7 MolecularWeight: 554.05054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.COC1=CC=C(C=C1)C(=O)[O-].COC1=CC=C(C=C1)C(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.COC1=CC=C(C=C1)C(=O)[O-].COC1=CC=C(C=C1)C(=O)[O-].[Cu+2]

InChI

InChI=1S/C11H12N2O.2C8H8O3.Cu/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*1-11-7-4-2-6(3-5-7)8(9)10;/h3-8H,1-2H3;2*2-5H,1H3,(H,9,10);/q;;;+2/p-2