sodium 3-carboxy-2-(2-carboxybutyl)-4-methyl-hexanoate

Systemtic Name: sodium 3-carboxy-2-(2-carboxybutyl)-4-methyl-hexanoate Openeye Name: sodium 3-carboxy-2-(2-carboxybutyl)-4-methyl-hexanoate CAS Name: sodium 3-carboxy-2-(2-carboxybutyl)-4-methylhexanoate IUPAC Name: sodium 3-carboxy-2-(2-carboxybutyl)-4-methylhexanoate Traditional Name: sodium 3-carboxy-2-(2-carboxybutyl)-4-methyl-hexanoate Formula: C13H21NaO6 MolecularWeight: 296.29201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O6.Na/c1-4-7(3)10(13(18)19)9(12(16)17)6-8(5-2)11(14)15;/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H,18,19);/q;+1/p-1