methyl 6-butyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 6-butyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 6-butyl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 6-butyl-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 6-butyl-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)C=C(C1C(=O)OC)C

Isomeric SMILES

CCCCC1CC(=O)C=C(C1C(=O)OC)C

InChI

InChI=1S/C13H20O3/c1-4-5-6-10-8-11(14)7-9(2)12(10)13(15)16-3/h7,10,12H,4-6,8H2,1-3H3