sodium 2-oxidanyl-2-pentan-3-yl-propanedioate

Systemtic Name: sodium 2-oxidanyl-2-pentan-3-yl-propanedioate Openeye Name: sodium 2-(1-ethylpropyl)-2-hydroxy-propanedioate CAS Name: sodium 2-hydroxy-2-pentan-3-ylpropanedioate IUPAC Name: sodium 2-hydroxy-2-pentan-3-ylpropanedioate Traditional Name: sodium 2-(1-ethylpropyl)-2-hydroxy-malonate Formula: C8H12NaO5- MolecularWeight: 211.16765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O5.Na/c1-3-5(4-2)8(13,6(9)10)7(11)12;/h5,13H,3-4H2,1-2H3,(H,9,10)(H,11,12);/q;+1/p-2