9-methyl-1,10-phenanthroline-2-carboxylate; nickel(2+); hydrate

Systemtic Name: 9-methyl-1,10-phenanthroline-2-carboxylate; nickel(2+); hydrate Openeye Name: nickelous 9-methyl-1,10-phenanthroline-2-carboxylate hydrate CAS Name: 9-methyl-1,10-phenanthroline-2-carboxylate; nickel(2+); hydrate IUPAC Name: 9-methyl-1,10-phenanthroline-2-carboxylate; nickel(2+); hydrate Traditional Name: nickelous 9-methyl-1,10-phenanthroline-2-carboxylate hydrate Formula: C28H20N4NiO5 MolecularWeight: 551.1756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H10N2O2.Ni.H2O/c2*1-8-2-3-9-4-5-10-6-7-11(14(17)18)16-13(10)12(9)15-8;;/h2*2-7H,1H3,(H,17,18);;1H2/q;;+2;/p-2