[(2S,3S)-2-methyl-3-oxidanyl-5-phenylmethoxy-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-oxidanyl-5-phenylmethoxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-5-benzyloxy-3-hydroxy-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyl-5-phenylmethoxypentyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-2-methyl-5-phenylmethoxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-5-benzoxy-3-hydroxy-2-methyl-pentyl] ester Formula: C20H26O5S MolecularWeight: 378.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(CCOCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@H](CCOCC2=CC=CC=C2)O

InChI

InChI=1S/C20H26O5S/c1-16-8-10-19(11-9-16)26(22,23)25-14-17(2)20(21)12-13-24-15-18-6-4-3-5-7-18/h3-11,17,20-21H,12-15H2,1-2H3/t17-,20-/m0/s1