Identifiers & Physical Properties
| CAS No. | 39611-22-8 |
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| Molecular formula | C18H28Fe7N18O14 |
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| Average molar mass | 1,111.4 g/mol |
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| Monoisotopic mass | 1,111.74780008 g/mol |
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| SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3] |
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| InChIKey | QCXXVLLZJRBDNI-UHFFFAOYSA-N |
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| PubChem CID | 182606 |
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| DTXSID | DTXSID50192722 |
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Chemical & Physical Properties
| Topological polar surface area | 442 |
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| Hydrogen bond donors | 14 |
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| Hydrogen bond acceptors | 50 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 57 |
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| Formal charge | 0 |
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| Complexity | 10 |
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