copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-(2-methylphenoxy)ethanoate

Systemtic Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-(2-methylphenoxy)ethanoate Openeye Name: copper; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-(2-methylphenoxy)acetate CAS Name: copper; 1,5-dimethyl-2-phenyl-3-pyrazolone; 2-(2-methylphenoxy)acetate IUPAC Name: copper; 1,5-dimethyl-2-phenylpyrazol-3-one; 2-(2-methylphenoxy)acetate Traditional Name: cupric; antipyrine; 2-(2-methylphenoxy)acetate Formula: C29H30CuN2O7 MolecularWeight: 582.1037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)[O-].CC1=CC=CC=C1OCC(=O)[O-].CC1=CC(=O)N(N1C)C2=CC=CC=C2.[Cu+2]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)[O-].CC1=CC=CC=C1OCC(=O)[O-].CC1=CC(=O)N(N1C)C2=CC=CC=C2.[Cu+2]

InChI

InChI=1S/C11H12N2O.2C9H10O3.Cu/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*1-7-4-2-3-5-8(7)12-6-9(10)11;/h3-8H,1-2H3;2*2-5H,6H2,1H3,(H,10,11);/q;;;+2/p-2