iron(2+); iron(3+); 1-(1-piperidin-1-id-2-ylethylideneamino)-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]pentan-3-ol; triisocyanate

Systemtic Name: iron(2+); iron(3+); 1-(1-piperidin-1-id-2-ylethylideneamino)-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]pentan-3-ol; triisocyanate Openeye Name: ferric ferrous 1-(1-piperidin-1-id-2-ylethylideneamino)-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]pentan-3-ol triisocyanate CAS Name: iron(2+); iron(3+); 1-[1-(2-piperidin-1-idyl)ethylideneamino]-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]-3-pentanol; triisocyanate IUPAC Name: iron(2+); iron(3+); 1-(1-piperidin-1-id-2-ylethylideneamino)-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]pentan-3-ol; triisocyanate Traditional Name: ferric ferrous 1-(1-piperidin-1-id-2-ylethylideneamino)-5-[1-(2H-pyridin-1-id-6-yl)ethylideneamino]pentan-3-ol triisocyanate Formula: C22H30Fe2N7O4 MolecularWeight: 568.2081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC(CCN=C(C)C1=CC=CC[N-]1)O)C2CCCC[N-]2.C(=[N-])=O.C(=[N-])=O.C(=[N-])=O.[Fe+2].[Fe+3]

Isomeric SMILES

CC(=NCCC(CCN=C(C)C1=CC=CC[N-]1)O)C2CCCC[N-]2.C(=[N-])=O.C(=[N-])=O.C(=[N-])=O.[Fe+2].[Fe+3]

InChI

InChI=1S/C19H30N4O.3CNO.2Fe/c1-15(18-7-3-5-11-22-18)20-13-9-17(24)10-14-21-16(2)19-8-4-6-12-23-19;3*2-1-3;;/h3,5,7,17,19,24H,4,6,8-14H2,1-2H3;;;;;/q-2;3*-1;+2;+3