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

Systemtic Name: disodium 2-methyl-2,3-bis(oxidanyl)-5-phosphonato-pentanal Openeye Name: disodium 2,3-dihydroxy-2-methyl-5-phosphonato-pentanal CAS Name: disodium 2,3-dihydroxy-2-methyl-5-phosphonatopentanal IUPAC Name: disodium 2,3-dihydroxy-2-methyl-5-phosphonatopentanal Traditional Name: disodium 2,3-dihydroxy-2-methyl-5-phosphonato-valeraldehyde Formula: C6H11Na2O6P MolecularWeight: 256.101241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O6P.2Na/c1-6(9,4-7)5(8)2-3-13(10,11)12;;/h4-5,8-9H,2-3H2,1H3,(H2,10,11,12);;/q;2*+1/p-2