[(1S,6S)-6-bromanyl-2,2,5,5-tetramethyl-3-oxidanylidene-cyclohexyl] methanesulfonate

Systemtic Name: [(1S,6S)-6-bromanyl-2,2,5,5-tetramethyl-3-oxidanylidene-cyclohexyl] methanesulfonate Openeye Name: [(1S,6S)-6-bromo-2,2,5,5-tetramethyl-3-oxo-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,6S)-6-bromo-2,2,5,5-tetramethyl-3-oxocyclohexyl] ester IUPAC Name: [(1S,6S)-6-bromo-2,2,5,5-tetramethyl-3-oxocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,6S)-6-bromo-3-keto-2,2,5,5-tetramethyl-cyclohexyl] ester Formula: C11H19BrO4S MolecularWeight: 327.23516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1Br)OS(=O)(=O)C)(C)C)C

Isomeric SMILES

CC1(CC(=O)C([C@@H]([C@H]1Br)OS(=O)(=O)C)(C)C)C

InChI

InChI=1S/C11H19BrO4S/c1-10(2)6-7(13)11(3,4)9(8(10)12)16-17(5,14)15/h8-9H,6H2,1-5H3/t8-,9-/m1/s1