sodium 3-carboxy-2,4,4-trimethyl-hexanoate

Systemtic Name: sodium 3-carboxy-2,4,4-trimethyl-hexanoate Openeye Name: sodium 3-carboxy-2,4,4-trimethyl-hexanoate CAS Name: sodium 3-carboxy-2,4,4-trimethylhexanoate IUPAC Name: sodium 3-carboxy-2,4,4-trimethylhexanoate Traditional Name: sodium 3-carboxy-2,4,4-trimethyl-hexanoate Formula: C10H17NaO4 MolecularWeight: 224.22935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O4.Na/c1-5-10(3,4)7(9(13)14)6(2)8(11)12;/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14);/q;+1/p-1