copper; 2,9-dimethyl-1,10-phenanthroline; 2-oxidanidyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: copper; 2,9-dimethyl-1,10-phenanthroline; 2-oxidanidyl-3,5-di(propan-2-yl)benzoate Openeye Name: copper; 3,5-diisopropyl-2-oxido-benzoate; 2,9-dimethyl-1,10-phenanthroline CAS Name: copper; 2,9-dimethyl-1,10-phenanthroline; 2-oxido-3,5-di(propan-2-yl)benzoate IUPAC Name: copper; 2,9-dimethyl-1,10-phenanthroline; 2-oxido-3,5-di(propan-2-yl)benzoate Traditional Name: cupric; 3,5-diisopropyl-2-oxido-benzoate; 2,9-dimethyl-1,10-phenanthroline Formula: C27H28CuN2O3 MolecularWeight: 492.06882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])[O-])C(C)C.[Cu+2]

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])[O-])C(C)C.[Cu+2]

InChI

InChI=1S/C14H12N2.C13H18O3.Cu/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;/h3-8H,1-2H3;5-8,14H,1-4H3,(H,15,16);/q;;+2/p-2