4-(2-methylpropanoyl)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(2-methylpropanoyl)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylic acid Openeye Name: 4-(2-methylpropanoyl)-3,5-dioxo-cyclohexanecarboxylic acid CAS Name: 4-(2-methyl-1-oxopropyl)-3,5-dioxo-1-cyclohexanecarboxylic acid IUPAC Name: 4-(2-methylpropanoyl)-3,5-dioxocyclohexane-1-carboxylic acid Traditional Name: 4-isobutyryl-3,5-diketo-cyclohexanecarboxylic acid Formula: C11H14O5 MolecularWeight: 226.22586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1C(=O)CC(CC1=O)C(=O)O

Isomeric SMILES

CC(C)C(=O)C1C(=O)CC(CC1=O)C(=O)O

InChI

InChI=1S/C11H14O5/c1-5(2)10(14)9-7(12)3-6(11(15)16)4-8(9)13/h5-6,9H,3-4H2,1-2H3,(H,15,16)