1,1-diphosphonatoethanol; iron(3+)

Systemtic Name: 1,1-diphosphonatoethanol; iron(3+) Openeye Name: tetraferric 1,1-diphosphonatoethanol CAS Name: 1,1-diphosphonatoethanol; iron(3+) IUPAC Name: 1,1-diphosphonatoethanol; iron(3+) Traditional Name: tetraferric 1,1-diphosphonatoethanol Formula: C6H12Fe4O21P6 MolecularWeight: 829.369446

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C2H8O7P2.4Fe/c3*1-2(3,10(4,5)6)11(7,8)9;;;;/h3*3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;;;4*+3/p-12