decacalcium hydrogen carbonate hexaphosphate

Systemtic Name: decacalcium hydrogen carbonate hexaphosphate Openeye Name: decacalcium hydrogen carbonate hexaphosphate CAS Name: decacalcium hydrogen carbonate hexaphosphate IUPAC Name: decacalcium hydrogen carbonate hexaphosphate Traditional Name: decacalcium dibicarbonate hexaphosphate Formula: C2H2Ca10O30P6 MolecularWeight: 1092.641846

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)(O)[O-].C(=O)(O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(=O)(O)[O-].C(=O)(O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2CH2O3.10Ca.6H3O4P/c2*2-1(3)4;;;;;;;;;;;6*1-5(2,3)4/h2*(H2,2,3,4);;;;;;;;;;;6*(H3,1,2,3,4)/q;;10*+2;;;;;;/p-20