hexacalcium iron(3+) carbonate hexadecahydroxide

Systemtic Name: hexacalcium iron(3+) carbonate hexadecahydroxide Openeye Name: hexacalcium diferric carbonate hexadecahydroxide CAS Name: hexacalcium iron(3+) carbonate hexadecahydroxide IUPAC Name: hexacalcium iron(3+) carbonate hexadecahydroxide Traditional Name: hexacalcium diferric carbonate hexadecahydroxide Formula: CH16Ca6Fe2O19 MolecularWeight: 684.28434

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+3].[Fe+3]

Isomeric SMILES

C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+3].[Fe+3]

InChI

InChI=1S/CH2O3.6Ca.2Fe.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;6*+2;2*+3;;;;;;;;;;;;;;;;/p-18