disodium 2-methyl-3-oxidanyl-4-phosphonato-butanal

Systemtic Name: disodium 2-methyl-3-oxidanyl-4-phosphonato-butanal Openeye Name: disodium 3-hydroxy-2-methyl-4-phosphonato-butanal CAS Name: disodium 3-hydroxy-2-methyl-4-phosphonatobutanal IUPAC Name: disodium 3-hydroxy-2-methyl-4-phosphonatobutanal Traditional Name: disodium 3-hydroxy-2-methyl-4-phosphonato-butyraldehyde Formula: C5H9Na2O5P MolecularWeight: 226.075261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C(CP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

CC(C=O)C(CP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C5H11O5P.2Na/c1-4(2-6)5(7)3-11(8,9)10;;/h2,4-5,7H,3H2,1H3,(H2,8,9,10);;/q;2*+1/p-2