1-[(1S,3R,4S,5S)-3-(chloromethyl)-5-ethanoyl-4-methyl-4-oxidanyl-cyclohexyl]ethanone

Systemtic Name: 1-[(1S,3R,4S,5S)-3-(chloromethyl)-5-ethanoyl-4-methyl-4-oxidanyl-cyclohexyl]ethanone Openeye Name: 1-[(1S,3S,4S,5R)-3-acetyl-5-(chloromethyl)-4-hydroxy-4-methyl-cyclohexyl]ethanone CAS Name: 1-[(1S,3S,4S,5R)-3-acetyl-5-(chloromethyl)-4-hydroxy-4-methylcyclohexyl]ethanone IUPAC Name: 1-[(1S,3S,4S,5R)-3-acetyl-5-(chloromethyl)-4-hydroxy-4-methylcyclohexyl]ethanone Traditional Name: 1-[(1S,3S,4S,5R)-3-acetyl-5-(chloromethyl)-4-hydroxy-4-methyl-cyclohexyl]ethanone Formula: C12H19ClO3 MolecularWeight: 246.73046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C(C(C1)C(=O)C)(C)O)CCl

Isomeric SMILES

CC(=O)[C@@H]1C[C@H]([C@@]([C@H](C1)C(=O)C)(C)O)CCl

InChI

InChI=1S/C12H19ClO3/c1-7(14)9-4-10(6-13)12(3,16)11(5-9)8(2)15/h9-11,16H,4-6H2,1-3H3/t9-,10+,11-,12-/m1/s1