[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,5-ditert-butyl-4-methoxy-benzenesulfinate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,5-ditert-butyl-4-methoxy-benzenesulfinate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3,5-ditert-butyl-4-methoxy-benzenesulfinate CAS Name: 3,5-ditert-butyl-4-methoxybenzenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,5-ditert-butyl-4-methoxybenzenesulfinate Traditional Name: 3,5-ditert-butyl-4-methoxy-benzenesulfinic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O3S/c1-16(2)19-12-11-17(3)13-22(19)28-29(26)18-14-20(24(4,5)6)23(27-10)21(15-18)25(7,8)9/h14-17,19,22H,11-13H2,1-10H3/t17-,19+,22-,29-/m1/s1