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

Systemtic Name: [(2S,3S)-7-(oxiran-2-yl)-2-phenylmethoxy-heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-benzyloxyethyl]-5-(oxiran-2-yl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-7-(2-oxiranyl)-2-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(2S,3S)-7-(oxiran-2-yl)-2-phenylmethoxyheptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-benzoxyethyl]-5-(oxiran-2-yl)pentyl] ester Formula: C23H30O5S MolecularWeight: 418.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC2CO2)C(C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CCCCC2CO2)[C@H](C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30O5S/c1-18-12-14-22(15-13-18)29(24,25)28-23(11-7-6-10-21-17-27-21)19(2)26-16-20-8-4-3-5-9-20/h3-5,8-9,12-15,19,21,23H,6-7,10-11,16-17H2,1-2H3/t19-,21?,23-/m0/s1