2-(2,2,6-trimethyl-5-oxidanylidene-heptan-3-yl)propanedioic acid

Systemtic Name: 2-(2,2,6-trimethyl-5-oxidanylidene-heptan-3-yl)propanedioic acid Openeye Name: 2-(1-tert-butyl-4-methyl-3-oxo-pentyl)propanedioic acid CAS Name: 2-(2,2,6-trimethyl-5-oxoheptan-3-yl)propanedioic acid IUPAC Name: 2-(2,2,6-trimethyl-5-oxoheptan-3-yl)propanedioic acid Traditional Name: 2-(1-tert-butyl-3-keto-4-methyl-pentyl)malonic acid Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C(C(=O)O)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)CC(C(C(=O)O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H22O5/c1-7(2)9(14)6-8(13(3,4)5)10(11(15)16)12(17)18/h7-8,10H,6H2,1-5H3,(H,15,16)(H,17,18)