methyl 5-butanoyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 5-butanoyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 5-butanoyl-1-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 1-hydroxy-4-oxo-5-(1-oxobutyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 5-butanoyl-1-hydroxy-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 5-butyryl-1-hydroxy-4-keto-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CC(C=CC1=O)(C(=O)OC)O

Isomeric SMILES

CCCC(=O)C1CC(C=CC1=O)(C(=O)OC)O

InChI

InChI=1S/C12H16O5/c1-3-4-9(13)8-7-12(16,11(15)17-2)6-5-10(8)14/h5-6,8,16H,3-4,7H2,1-2H3