(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CC3CCCC(C2)C3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CC3CCCC(C2)C3=O)C

InChI

InChI=1S/C22H28O4/c1-12-8-13(2)20(15(4)23)14(3)19(12)11-26-22(25)18-9-16-6-5-7-17(10-18)21(16)24/h8,16-18H,5-7,9-11H2,1-4H3