sodium 3-carboxy-2,5,5-trimethyl-hexanoate

Systemtic Name: sodium 3-carboxy-2,5,5-trimethyl-hexanoate Openeye Name: sodium 3-carboxy-2,5,5-trimethyl-hexanoate CAS Name: sodium 3-carboxy-2,5,5-trimethylhexanoate IUPAC Name: sodium 3-carboxy-2,5,5-trimethylhexanoate Traditional Name: sodium 3-carboxy-2,5,5-trimethyl-hexanoate Formula: C10H17NaO4 MolecularWeight: 224.22935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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