magnesium; 1-butyl-4-phenyl-benzene; 5-oxidanylidene-1,4-dihydropyrazol-3-olate

Systemtic Name: magnesium; 1-butyl-4-phenyl-benzene; 5-oxidanylidene-1,4-dihydropyrazol-3-olate Openeye Name: magnesium; 1-butyl-4-phenyl-benzene; 5-oxo-1,4-dihydropyrazol-3-olate CAS Name: magnesium; 1-butyl-4-phenylbenzene; 5-oxo-1,4-dihydropyrazol-3-olate IUPAC Name: magnesium; 1-butyl-4-phenylbenzene; 5-oxo-1,4-dihydropyrazol-3-olate Traditional Name: magnesium; 1-butyl-4-phenyl-benzene; 5-keto-2-pyrazolin-3-olate Formula: C22H24MgN4O4 MolecularWeight: 432.75536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC=C2.C1C(=O)NN=C1[O-].C1C(=O)NN=C1[O-].[Mg+2]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC=C2.C1C(=O)NN=C1[O-].C1C(=O)NN=C1[O-].[Mg+2]

InChI

InChI=1S/C16H18.2C3H4N2O2.Mg/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;2*6-2-1-3(7)5-4-2;/h4-6,8-13H,2-3,7H2,1H3;2*1H2,(H,4,6)(H,5,7);/q;;;+2/p-2