sodium 4-ethanoyl-4-methyl-heptanedioic acid

Systemtic Name: sodium 4-ethanoyl-4-methyl-heptanedioic acid Openeye Name: sodium 4-acetyl-4-methyl-heptanedioic acid CAS Name: sodium 4-acetyl-4-methylheptanedioic acid IUPAC Name: sodium 4-acetyl-4-methylheptanedioic acid Traditional Name: sodium 4-acetyl-4-methyl-pimelic acid Formula: C10H16NaO5+ MolecularWeight: 239.22081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O5.Na/c1-7(11)10(2,5-3-8(12)13)6-4-9(14)15;/h3-6H2,1-2H3,(H,12,13)(H,14,15);/q;+1