sodium 2-ethyl-5-methoxy-4-methyl-5-oxidanylidene-pentanoate

Systemtic Name: sodium 2-ethyl-5-methoxy-4-methyl-5-oxidanylidene-pentanoate Openeye Name: sodium 2-ethyl-5-methoxy-4-methyl-5-oxo-pentanoate CAS Name: sodium 2-ethyl-5-methoxy-4-methyl-5-oxopentanoate IUPAC Name: sodium 2-ethyl-5-methoxy-4-methyl-5-oxopentanoate Traditional Name: sodium 2-ethyl-5-keto-5-methoxy-4-methyl-valerate Formula: C9H15NaO4 MolecularWeight: 210.20277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.Na/c1-4-7(8(10)11)5-6(2)9(12)13-3;/h6-7H,4-5H2,1-3H3,(H,10,11);/q;+1/p-1