[(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphoryl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphoryl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphoryl-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphorylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphorylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,5S)-5-tert-butyl-2-diethoxyphosphoryl-cyclohexyl] ester Formula: C21H35O6PS MolecularWeight: 446.537761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1CCC(CC1OS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)([C@@H]1CC[C@@H](C[C@H]1OS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C)OCC

InChI

InChI=1S/C21H35O6PS/c1-7-25-28(22,26-8-2)20-14-11-17(21(4,5)6)15-19(20)27-29(23,24)18-12-9-16(3)10-13-18/h9-10,12-13,17,19-20H,7-8,11,14-15H2,1-6H3/t17-,19+,20+/m0/s1