[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-bromanylbenzenesulfinate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-bromanylbenzenesulfinate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-bromobenzenesulfinate CAS Name: 4-bromobenzenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-bromobenzenesulfinate Traditional Name: 4-bromobenzenesulfinic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H23BrO2S MolecularWeight: 359.32162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[S@](=O)C2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C16H23BrO2S/c1-11(2)15-9-4-12(3)10-16(15)19-20(18)14-7-5-13(17)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-,20+/m1/s1