hexasodium; iron(2+); phosphonato phosphate; diphosphate; sulfate

Systemtic Name: hexasodium; iron(2+); phosphonato phosphate; diphosphate; sulfate Openeye Name: triferrous hexasodium phosphonato phosphate diphosphate sulfate CAS Name: hexasodium; iron(2+); phosphonato phosphate; diphosphate; sulfate IUPAC Name: hexasodium; iron(2+); phosphonato phosphate; diphosphate; sulfate Traditional Name: triferrous hexasodium phosphonato phosphate diphosphate sulfate Formula: Fe3Na6O19P4S MolecularWeight: 765.422264

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Descriptors Computed from Structure

Canonical SMILES:

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/3Fe.6Na.H4O7P2.2H3O4P.H2O4S/c;;;;;;;;;1-8(2,3)7-9(4,5)6;3*1-5(2,3)4/h;;;;;;;;;(H2,1,2,3)(H2,4,5,6);2*(H3,1,2,3,4);(H2,1,2,3,4)/q3*+2;6*+1;;;;/p-12