methyl (1S)-3-butanoyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S)-3-butanoyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S)-3-butanoyl-2-hydroxy-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S)-2-hydroxy-6,6-dimethyl-4-oxo-3-(1-oxobutyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S)-3-butanoyl-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S)-3-butyryl-2-hydroxy-4-keto-6,6-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C14H20O5 MolecularWeight: 268.3056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)(C)C)C(=O)OC)O

Isomeric SMILES

CCCC(=O)C1=C([C@H](C(CC1=O)(C)C)C(=O)OC)O

InChI

InChI=1S/C14H20O5/c1-5-6-8(15)10-9(16)7-14(2,3)11(12(10)17)13(18)19-4/h11,17H,5-7H2,1-4H3/t11-/m0/s1