sodium 5,5,5-trideuterio-4-methyl-2-oxidanylidene-pentanoate

Systemtic Name: sodium 5,5,5-trideuterio-4-methyl-2-oxidanylidene-pentanoate Openeye Name: sodium 5,5,5-trideuterio-4-methyl-2-oxo-pentanoate CAS Name: sodium 5,5,5-trideuterio-4-methyl-2-oxopentanoate IUPAC Name: sodium 5,5,5-trideuterio-4-methyl-2-oxopentanoate Traditional Name: sodium 5,5,5-trideuterio-2-keto-4-methyl-valerate Formula: C6H9NaO3 MolecularWeight: 155.142115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])C(C)CC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1/i1D3;