sodium phosphonato phosphate decahydrate

Systemtic Name: sodium phosphonato phosphate decahydrate Openeye Name: sodium phosphonato phosphate decahydrate CAS Name: sodium phosphonato phosphate decahydrate IUPAC Name: sodium phosphonato phosphate decahydrate Traditional Name: sodium phosphonato phosphate decahydrate Formula: H20NaO38P8-15 MolecularWeight: 898.915858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/Na.4H4O7P2.10H2O/c;4*1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;4*(H2,1,2,3)(H2,4,5,6);10*1H2/q+1;;;;;;;;;;;;;;/p-16