1-[(1S,2R,4S)-4-tert-butyl-2-chloranyl-1-oxidanyl-cyclohexyl]propan-2-one

Systemtic Name: 1-[(1S,2R,4S)-4-tert-butyl-2-chloranyl-1-oxidanyl-cyclohexyl]propan-2-one Openeye Name: 1-[(1S,2R,4S)-4-tert-butyl-2-chloro-1-hydroxy-cyclohexyl]propan-2-one CAS Name: 1-[(1S,2R,4S)-4-tert-butyl-2-chloro-1-hydroxycyclohexyl]-2-propanone IUPAC Name: 1-[(1S,2R,4S)-4-tert-butyl-2-chloro-1-hydroxycyclohexyl]propan-2-one Traditional Name: 1-[(1S,2R,4S)-4-tert-butyl-2-chloro-1-hydroxy-cyclohexyl]acetone Formula: C13H23ClO2 MolecularWeight: 246.77352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(CCC(CC1Cl)C(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H23ClO2/c1-9(15)8-13(16)6-5-10(7-11(13)14)12(2,3)4/h10-11,16H,5-8H2,1-4H3/t10-,11+,13-/m0/s1