[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,4-bis(chloranyl)benzoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H22Cl2O2 MolecularWeight: 329.26138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C(C)C

InChI

InChI=1S/C17H22Cl2O2/c1-10(2)13-6-4-11(3)8-16(13)21-17(20)12-5-7-14(18)15(19)9-12/h5,7,9-11,13,16H,4,6,8H2,1-3H3/t11-,13+,16-/m1/s1