(4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-chloro-5-isopropyl-2-methyl-phenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (4-chloro-2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-2-methyl-5-propan-2-ylphenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-chloro-5-isopropyl-2-methyl-phenyl) ester Formula: C20H25ClO3 MolecularWeight: 348.8637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClO3/c1-11(2)16-10-18(12(3)7-17(16)21)24-20(23)15-8-13-5-4-6-14(9-15)19(13)22/h7,10-11,13-15H,4-6,8-9H2,1-3H3