[(1R)-1-[(2S)-6-oxidanylideneoxan-2-yl]-2-phenylmethoxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-[(2S)-6-oxidanylideneoxan-2-yl]-2-phenylmethoxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-2-benzyloxy-1-[(2S)-6-oxotetrahydropyran-2-yl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(2S)-6-oxo-2-oxanyl]-2-phenylmethoxyethyl] ester IUPAC Name: [(1R)-1-[(2S)-6-oxooxan-2-yl]-2-phenylmethoxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-benzoxy-1-[(2S)-6-ketotetrahydropyran-2-yl]ethyl] ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COCC2=CC=CC=C2)C3CCCC(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](COCC2=CC=CC=C2)[C@@H]3CCCC(=O)O3

InChI

InChI=1S/C21H24O6S/c1-16-10-12-18(13-11-16)28(23,24)27-20(19-8-5-9-21(22)26-19)15-25-14-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3/t19-,20+/m0/s1