4-ethanoyl-4-methyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 4-ethanoyl-4-methyl-5-oxidanylidene-hexanoic acid Openeye Name: 4-acetyl-4-methyl-5-oxo-hexanoic acid CAS Name: 4-acetyl-4-methyl-5-oxohexanoic acid IUPAC Name: 4-acetyl-4-methyl-5-oxohexanoic acid Traditional Name: 4-acetyl-5-keto-4-methyl-hexanoic acid Formula: C9H14O4 MolecularWeight: 186.20506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O4/c1-6(10)9(3,7(2)11)5-4-8(12)13/h4-5H2,1-3H3,(H,12,13)