[(2S)-3-(oxan-2-yloxy)-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(oxan-2-yloxy)-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-benzyloxy-3-tetrahydropyran-2-yloxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(2-oxanyloxy)-2-phenylmethoxypropyl] ester IUPAC Name: [(2S)-3-(oxan-2-yloxy)-2-phenylmethoxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-benzoxy-3-tetrahydropyran-2-yloxy-propyl] ester Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2CCCCO2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC2CCCCO2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28O6S/c1-18-10-12-21(13-11-18)29(23,24)28-17-20(16-27-22-9-5-6-14-25-22)26-15-19-7-3-2-4-8-19/h2-4,7-8,10-13,20,22H,5-6,9,14-17H2,1H3/t20-,22?/m0/s1