sodium 2-(3-methanidylpentan-3-yl)propanedioate

Systemtic Name: sodium 2-(3-methanidylpentan-3-yl)propanedioate Openeye Name: sodium 2-(1-ethyl-1-methanidyl-propyl)propanedioate CAS Name: sodium 2-(3-methanidylpentan-3-yl)propanedioate IUPAC Name: sodium 2-(3-methanidylpentan-3-yl)propanedioate Traditional Name: sodium 2-(1-ethyl-1-methanidyl-propyl)malonate Formula: C9H13NaO4-2 MolecularWeight: 208.18689

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Descriptors Computed from Structure

Canonical SMILES:

CCC([CH2-])(CC)C(C(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCC([CH2-])(CC)C(C(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C9H15O4.Na/c1-4-9(3,5-2)6(7(10)11)8(12)13;/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);/q-1;+1/p-2