[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3CCCC(C2)C3=O)C

InChI

InChI=1S/C20H24O4/c1-12-6-7-14(8-13(12)2)18(21)11-24-20(23)17-9-15-4-3-5-16(10-17)19(15)22/h6-8,15-17H,3-5,9-11H2,1-2H3