disodium 2-methyl-3,4-bis(oxidanyl)-4-phosphonato-butanal

Systemtic Name: disodium 2-methyl-3,4-bis(oxidanyl)-4-phosphonato-butanal Openeye Name: disodium 3,4-dihydroxy-2-methyl-4-phosphonato-butanal CAS Name: disodium 3,4-dihydroxy-2-methyl-4-phosphonatobutanal IUPAC Name: disodium 3,4-dihydroxy-2-methyl-4-phosphonatobutanal Traditional Name: disodium 3,4-dihydroxy-2-methyl-4-phosphonato-butyraldehyde Formula: C5H9Na2O6P MolecularWeight: 242.074661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11O6P.2Na/c1-3(2-6)4(7)5(8)12(9,10)11;;/h2-5,7-8H,1H3,(H2,9,10,11);;/q;2*+1/p-2