tetraoxidanium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)prop-2-enoic acid; nickel; nickel(2+); 3-piperidin-1-id-3-ylprop-2-enoic acid; hydrate

Systemtic Name: tetraoxidanium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)prop-2-enoic acid; nickel; nickel(2+); 3-piperidin-1-id-3-ylprop-2-enoic acid; hydrate Openeye Name: dinickelous; tetraoxonium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)prop-2-enoic acid; nickel; 3-piperidin-1-id-3-ylprop-2-enoic acid; hydrate CAS Name: tetraoxonium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)-2-propenoic acid; nickel; nickel(2+); 3-(3-piperidin-1-idyl)-2-propenoic acid; hydrate IUPAC Name: tetraoxidanium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)prop-2-enoic acid; nickel; nickel(2+); 3-piperidin-1-id-3-ylprop-2-enoic acid; hydrate Traditional Name: dinickelous; tetraoxonium; azanide; 3-(3,6-dihydro-2H-pyridin-1-id-3-yl)acrylic acid; nickel; 3-piperidin-1-id-3-ylacrylic acid; hydrate Formula: C32H64N6Ni5O13+2 MolecularWeight: 1034.34996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N-]C1)C=CC(=O)O.C1CC(C[N-]C1)C=CC(=O)O.C1CC(C[N-]C1)C=CC(=O)O.C1C=CC(C[N-]1)C=CC(=O)O.[NH2-].[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].O.[Ni].[Ni].[Ni].[Ni+2].[Ni+2]

Isomeric SMILES

C1CC(C[N-]C1)C=CC(=O)O.C1CC(C[N-]C1)C=CC(=O)O.C1CC(C[N-]C1)C=CC(=O)O.C1C=CC(C[N-]1)C=CC(=O)O.[NH2-].[NH2-].[OH3+].[OH3+].[OH3+].[OH3+].O.[Ni].[Ni].[Ni].[Ni+2].[Ni+2]

InChI

InChI=1S/3C8H12NO2.C8H10NO2.2H2N.5Ni.5H2O/c4*10-8(11)4-3-7-2-1-5-9-6-7;;;;;;;;;;;;/h3*3-4,7H,1-2,5-6H2,(H,10,11);1-4,7H,5-6H2,(H,10,11);2*1H2;;;;;;5*1H2/q6*-1;;;;2*+2;;;;;/p+4