2-(5-methyl-3-oxidanylidene-hexyl)-2-propanoyl-butanedioic acid

Systemtic Name: 2-(5-methyl-3-oxidanylidene-hexyl)-2-propanoyl-butanedioic acid Openeye Name: 2-(5-methyl-3-oxo-hexyl)-2-propanoyl-butanedioic acid CAS Name: 2-(5-methyl-3-oxohexyl)-2-(1-oxopropyl)butanedioic acid IUPAC Name: 2-(5-methyl-3-oxohexyl)-2-propanoylbutanedioic acid Traditional Name: 2-(3-keto-5-methyl-hexyl)-2-propionyl-succinic acid Formula: C14H22O6 MolecularWeight: 286.32088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O6/c1-4-11(16)14(13(19)20,8-12(17)18)6-5-10(15)7-9(2)3/h9H,4-8H2,1-3H3,(H,17,18)(H,19,20)