5-butanoyl-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: 5-butanoyl-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: 5-butanoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: 2,2-dimethyl-4,6-dioxo-5-(1-oxobutyl)-1-cyclohexanecarboxylate IUPAC Name: 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: 5-butyryl-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylate Formula: C13H17O5- MolecularWeight: 253.27108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)[O-])(C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)[O-])(C)C

InChI

InChI=1S/C13H18O5/c1-4-5-7(14)9-8(15)6-13(2,3)10(11(9)16)12(17)18/h9-10H,4-6H2,1-3H3,(H,17,18)/p-1