methyl 2-oxidanyl-4-oxidanylidene-6-pentyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 2-oxidanyl-4-oxidanylidene-6-pentyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 2-hydroxy-4-oxo-6-pentyl-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-4-oxo-6-pentyl-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate Traditional Name: 6-amyl-2-hydroxy-4-keto-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C=C(C1C(=O)OC)O

Isomeric SMILES

CCCCCC1CC(=O)C=C(C1C(=O)OC)O

InChI

InChI=1S/C13H20O4/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h8-9,12,15H,3-7H2,1-2H3