trisodium phosphonomethanoate dodecahydrate

Systemtic Name: trisodium phosphonomethanoate dodecahydrate Openeye Name: trisodium phosphonoformate dodecahydrate CAS Name: trisodium phosphonoformate dodecahydrate IUPAC Name: trisodium phosphonoformate dodecahydrate Traditional Name: trisodium phosphonoformate dodecahydrate Formula: CH26Na3O17P+2 MolecularWeight: 410.150011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/CH3O5P.3Na.12H2O/c2-1(3)7(4,5)6;;;;;;;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;12*1H2/q;3*+1;;;;;;;;;;;;/p-1