[(1R,2R,4R)-4-bromanyl-1-methyl-2-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,2R,4R)-4-bromanyl-1-methyl-2-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,2R,4R)-4-bromo-2-hydroxy-1-methyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,2R,4R)-4-bromo-2-hydroxy-1-methylcyclohexyl] ester IUPAC Name: [(1R,2R,4R)-4-bromo-2-hydroxy-1-methylcyclohexyl] acetate Traditional Name: acetic acid [(1R,2R,4R)-4-bromo-2-hydroxy-1-methyl-cyclohexyl] ester Formula: C9H15BrO3 MolecularWeight: 251.1176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC(CC1O)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C9H15BrO3/c1-6(11)13-9(2)4-3-7(10)5-8(9)12/h7-8,12H,3-5H2,1-2H3/t7-,8-,9-/m1/s1