[(3R,5R)-3-oxidanyl-5-phenylmethoxy-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,5R)-3-oxidanyl-5-phenylmethoxy-hexyl] 4-methylbenzenesulfonate Openeye Name: [(3R,5R)-5-benzyloxy-3-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,5R)-3-hydroxy-5-phenylmethoxyhexyl] ester IUPAC Name: [(3R,5R)-3-hydroxy-5-phenylmethoxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,5R)-5-benzoxy-3-hydroxy-hexyl] ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CC(C)OCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](C[C@@H](C)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H26O5S/c1-16-8-10-20(11-9-16)26(22,23)25-13-12-19(21)14-17(2)24-15-18-6-4-3-5-7-18/h3-11,17,19,21H,12-15H2,1-2H3/t17-,19-/m1/s1