(4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2CC3CCCC(C2)C3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2CC3CCCC(C2)C3=O)C)C(C)(C)C

InChI

InChI=1S/C23H32O3/c1-14-9-19(23(3,4)5)10-15(2)20(14)13-26-22(25)18-11-16-7-6-8-17(12-18)21(16)24/h9-10,16-18H,6-8,11-13H2,1-5H3