methyl 3,5-bis(oxidanylidene)-2-pentyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 3,5-bis(oxidanylidene)-2-pentyl-cyclohexane-1-carboxylate Openeye Name: methyl 3,5-dioxo-2-pentyl-cyclohexanecarboxylate CAS Name: 3,5-dioxo-2-pentyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3,5-dioxo-2-pentylcyclohexane-1-carboxylate Traditional Name: 2-amyl-3,5-diketo-cyclohexanecarboxylic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CC(=O)CC1=O)C(=O)OC

Isomeric SMILES

CCCCCC1C(CC(=O)CC1=O)C(=O)OC

InChI

InChI=1S/C13H20O4/c1-3-4-5-6-10-11(13(16)17-2)7-9(14)8-12(10)15/h10-11H,3-8H2,1-2H3