trisodium 3-methyl-4-oxidanylidene-4-phosphonooxy-butanoate

Systemtic Name: trisodium 3-methyl-4-oxidanylidene-4-phosphonooxy-butanoate Openeye Name: trisodium 3-methyl-4-oxo-4-phosphonooxy-butanoate CAS Name: trisodium 3-methyl-4-oxo-4-phosphonooxybutanoate IUPAC Name: trisodium 3-methyl-4-oxo-4-phosphonooxybutanoate Traditional Name: trisodium 4-keto-3-methyl-4-phosphonooxy-butyrate Formula: C5H8Na3O7P+2 MolecularWeight: 280.055891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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