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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H28O3 MolecularWeight: 328.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C21H28O3/c1-13-10-17(21(2,3)4)8-9-18(13)24-20(23)16-11-14-6-5-7-15(12-16)19(14)22/h8-10,14-16H,5-7,11-12H2,1-4H3