[(2S,3S)-7-oxidanyl-2-phenylmethoxy-heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-7-oxidanyl-2-phenylmethoxy-heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-benzyloxyethyl]-5-hydroxy-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-7-hydroxy-2-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(2S,3S)-7-hydroxy-2-phenylmethoxyheptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-benzoxyethyl]-5-hydroxy-pentyl] ester Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCO)C(C)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5S/c1-17-11-13-20(14-12-17)27(23,24)26-21(10-6-7-15-22)18(2)25-16-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,21-22H,6-7,10,15-16H2,1-2H3/t18-,21-/m0/s1