decacalcium hydrogen phosphate hexaphosphate hydrate

Systemtic Name: decacalcium hydrogen phosphate hexaphosphate hydrate Openeye Name: decacalcium hydrogen phosphate hexaphosphate hydrate CAS Name: decacalcium hydrogen phosphate hexaphosphate hydrate IUPAC Name: decacalcium hydrogen phosphate hexaphosphate hydrate Traditional Name: decacalcium hydrogen phosphate hexaphosphate hydrate Formula: Ca10H3O29P7 MolecularWeight: 1084.602747

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Descriptors Computed from Structure

Canonical SMILES:

O.OP(=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

O.OP(=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/10Ca.7H3O4P.H2O/c;;;;;;;;;;7*1-5(2,3)4;/h;;;;;;;;;;7*(H3,1,2,3,4);1H2/q10*+2;;;;;;;;/p-20