[(1R,2S)-2-diethoxyphosphorylcyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S)-2-diethoxyphosphorylcyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-2-diethoxyphosphorylcyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-diethoxyphosphorylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-diethoxyphosphorylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-diethoxyphosphorylcyclohexyl] ester Formula: C17H27O6PS MolecularWeight: 390.431441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1CCCCC1OS(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H27O6PS/c1-4-21-24(18,22-5-2)17-9-7-6-8-16(17)23-25(19,20)15-12-10-14(3)11-13-15/h10-13,16-17H,4-9H2,1-3H3/t16-,17+/m1/s1