trisodium 2-methyl-4-oxidanylidene-4-phosphonooxy-butanoate

Systemtic Name: trisodium 2-methyl-4-oxidanylidene-4-phosphonooxy-butanoate Openeye Name: trisodium 2-methyl-4-oxo-4-phosphonooxy-butanoate CAS Name: trisodium 2-methyl-4-oxo-4-phosphonooxybutanoate IUPAC Name: trisodium 2-methyl-4-oxo-4-phosphonooxybutanoate Traditional Name: trisodium 4-keto-2-methyl-4-phosphonooxy-butyrate Formula: C5H8Na3O7P+2 MolecularWeight: 280.055891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9O7P.3Na/c1-3(5(7)8)2-4(6)12-13(9,10)11;;;/h3H,2H2,1H3,(H,7,8)(H2,9,10,11);;;/q;3*+1/p-1