4-decanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; nickel

Systemtic Name: 4-decanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; nickel Openeye Name: 4-decanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; nickel CAS Name: 5-methyl-4-(1-oxodecyl)-2-phenyl-1H-pyrazol-3-one; nickel IUPAC Name: 4-decanoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; nickel Traditional Name: 4-capryl-5-methyl-2-phenyl-3-pyrazolin-3-one; nickel Formula: C40H56N4NiO4 MolecularWeight: 715.59044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C.CCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C.[Ni]

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C.CCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C.[Ni]

InChI

InChI=1S/2C20H28N2O2.Ni/c2*1-3-4-5-6-7-8-12-15-18(23)19-16(2)21-22(20(19)24)17-13-10-9-11-14-17;/h2*9-11,13-14,21H,3-8,12,15H2,1-2H3;