disodium 2-methyl-2,3,4-tris(oxidanyl)-5-phosphonato-pentanal

Systemtic Name: disodium 2-methyl-2,3,4-tris(oxidanyl)-5-phosphonato-pentanal Openeye Name: disodium 2,3,4-trihydroxy-2-methyl-5-phosphonato-pentanal CAS Name: disodium 2,3,4-trihydroxy-2-methyl-5-phosphonatopentanal IUPAC Name: disodium 2,3,4-trihydroxy-2-methyl-5-phosphonatopentanal Traditional Name: disodium 2,3,4-trihydroxy-2-methyl-5-phosphonato-valeraldehyde Formula: C6H11Na2O7P MolecularWeight: 272.100641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O7P.2Na/c1-6(10,3-7)5(9)4(8)2-14(11,12)13;;/h3-5,8-10H,2H2,1H3,(H2,11,12,13);;/q;2*+1/p-2