4-chloranylbut-2-ynyl 3,5-dimethyl-7-oxidanylidene-6-oxabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: 4-chloranylbut-2-ynyl 3,5-dimethyl-7-oxidanylidene-6-oxabicyclo[3.2.1]octane-2-carboxylate Openeye Name: 4-chlorobut-2-ynyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate CAS Name: 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid 4-chlorobut-2-ynyl ester IUPAC Name: 4-chlorobut-2-ynyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate Traditional Name: 7-keto-3,5-dimethyl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid 4-chlorobut-2-ynyl ester Formula: C14H17ClO4 MolecularWeight: 284.73538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CC(C1C(=O)OCC#CCCl)C(=O)O2)C

Isomeric SMILES

CC1CC2(CC(C1C(=O)OCC#CCCl)C(=O)O2)C

InChI

InChI=1S/C14H17ClO4/c1-9-7-14(2)8-10(12(16)19-14)11(9)13(17)18-6-4-3-5-15/h9-11H,5-8H2,1-2H3