methyl 2-butyl-4,4-dimethyl-5-oxidanylidene-cyclopentene-1-carboxylate

Systemtic Name: methyl 2-butyl-4,4-dimethyl-5-oxidanylidene-cyclopentene-1-carboxylate Openeye Name: methyl 2-butyl-4,4-dimethyl-5-oxo-cyclopentene-1-carboxylate CAS Name: 2-butyl-4,4-dimethyl-5-oxo-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-4,4-dimethyl-5-oxocyclopentene-1-carboxylate Traditional Name: 2-butyl-5-keto-4,4-dimethyl-cyclopentene-1-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(C1)(C)C)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)C(C1)(C)C)C(=O)OC

InChI

InChI=1S/C13H20O3/c1-5-6-7-9-8-13(2,3)11(14)10(9)12(15)16-4/h5-8H2,1-4H3