methyl 3-butanoyl-1-chloranyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-1-chloranyl-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 1-chloro-2-hydroxy-6,6-dimethyl-4-oxo-3-(1-oxobutyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 3-butyryl-1-chloro-2-hydroxy-4-keto-6,6-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C14H19ClO5 MolecularWeight: 302.75066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO5/c1-5-6-8(16)10-9(17)7-13(2,3)14(15,11(10)18)12(19)20-4/h18H,5-7H2,1-4H3