ethane-1,1-diol; iron(2+); iron(3+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; tetrahydrate

Systemtic Name: ethane-1,1-diol; iron(2+); iron(3+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; tetrahydrate Openeye Name: triferric; ferrous; ethane-1,1-diol; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; tetrahydrate CAS Name: ethane-1,1-diol; iron(2+); iron(3+); 2-(2-piperidin-1-idyl)piperidin-1-ide; 6-(2-piperidin-1-idyl)-2H-pyridin-1-ide; tetrahydrate IUPAC Name: ethane-1,1-diol; iron(2+); iron(3+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; tetrahydrate Traditional Name: triferric; ferrous; ethane-1,1-diol; 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; tetrahydrate Formula: C48H100Fe4N8O12+3 MolecularWeight: 1204.734

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2=CC=CC[N-]2.O.O.O.O.[Fe+2].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2=CC=CC[N-]2.O.O.O.O.[Fe+2].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C10H18N2.C10H14N2.4C2H6O2.4Fe.4H2O/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2(3)4;;;;;;;;/h3*9-10H,1-8H2;1,3,5,10H,2,4,6-8H2;4*2-4H,1H3;;;;;4*1H2/q4*-2;;;;;+2;3*+3;;;;