dicalcium; dimagnesium; iron(3+); manganese(2+); phosphoric acid; nonafluoride; nonahydroxide

Systemtic Name: dicalcium; dimagnesium; iron(3+); manganese(2+); phosphoric acid; nonafluoride; nonahydroxide Openeye Name: dicalcium diferric dimagnesium dimanganous phosphoric acid nonafluoride nonahydroxide CAS Name: dicalcium; dimagnesium; iron(3+); manganese(2+); phosphoric acid; nonafluoride; nonahydroxide IUPAC Name: dicalcium; dimagnesium; iron(3+); manganese(2+); phosphoric acid; nonafluoride; nonahydroxide Traditional Name: dicalcium diferric dimagnesium dimanganous phosphoric acid nonafluoride nonahydroxide Formula: Ca2F9Fe2H36Mg2Mn2O45P9 MolecularWeight: 1556.340416

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Descriptors Computed from Structure

Canonical SMILES:

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Mg+2].[Mg+2].[Ca+2].[Ca+2].[Mn+2].[Mn+2].[Fe+3].[Fe+3]

Isomeric SMILES

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Mg+2].[Mg+2].[Ca+2].[Ca+2].[Mn+2].[Mn+2].[Fe+3].[Fe+3]

InChI

InChI=1S/2Ca.9FH.2Fe.2Mg.2Mn.9H3O4P.9H2O/c;;;;;;;;;;;;;;;;;9*1-5(2,3)4;;;;;;;;;/h;;9*1H;;;;;;;9*(H3,1,2,3,4);9*1H2/q2*+2;;;;;;;;;;2*+3;4*+2;;;;;;;;;;;;;;;;;;/p-18