methyl 4-(7,7-dimethyl-1-oxidanylidene-4,7a-dihydro-3H-2-benzofuran-3a-yl)-7-methyl-6-oxidanylidene-bicyclo[3.2.1]octane-5-carboxylate

Systemtic Name: methyl 4-(7,7-dimethyl-1-oxidanylidene-4,7a-dihydro-3H-2-benzofuran-3a-yl)-7-methyl-6-oxidanylidene-bicyclo[3.2.1]octane-5-carboxylate Openeye Name: methyl 4-(7,7-dimethyl-1-oxo-4,7a-dihydro-3H-isobenzofuran-3a-yl)-7-methyl-6-oxo-bicyclo[3.2.1]octane-5-carboxylate CAS Name: 4-(7,7-dimethyl-1-oxo-4,7a-dihydro-3H-isobenzofuran-3a-yl)-7-methyl-6-oxo-5-bicyclo[3.2.1]octanecarboxylic acid methyl ester IUPAC Name: methyl 4-(7,7-dimethyl-1-oxo-4,7a-dihydro-3H-2-benzofuran-3a-yl)-7-methyl-6-oxobicyclo[3.2.1]octane-5-carboxylate Traditional Name: 6-keto-4-(1-keto-7,7-dimethyl-4,7a-dihydro-3H-isobenzofuran-3a-yl)-7-methyl-bicyclo[3.2.1]octane-5-carboxylic acid methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC(C(C2)(C1=O)C(=O)OC)C34CC=CC(C3C(=O)OC4)(C)C

Isomeric SMILES

CC1C2CCC(C(C2)(C1=O)C(=O)OC)C34CC=CC(C3C(=O)OC4)(C)C

InChI

InChI=1S/C21H28O5/c1-12-13-6-7-14(21(10-13,16(12)22)18(24)25-4)20-9-5-8-19(2,3)15(20)17(23)26-11-20/h5,8,12-15H,6-7,9-11H2,1-4H3