[(3S,5R)-1-[(2S,3S)-3-methyl-4-oxidanylidene-oxetan-2-yl]-5-phenylmethoxy-hexan-3-yl] benzenesulfonate

Systemtic Name: [(3S,5R)-1-[(2S,3S)-3-methyl-4-oxidanylidene-oxetan-2-yl]-5-phenylmethoxy-hexan-3-yl] benzenesulfonate Openeye Name: [(1S,3R)-3-benzyloxy-1-[2-[(2S,3S)-3-methyl-4-oxo-oxetan-2-yl]ethyl]butyl] benzenesulfonate CAS Name: benzenesulfonic acid [(3S,5R)-1-[(2S,3S)-3-methyl-4-oxo-2-oxetanyl]-5-phenylmethoxyhexan-3-yl] ester IUPAC Name: [(3S,5R)-1-[(2S,3S)-3-methyl-4-oxooxetan-2-yl]-5-phenylmethoxyhexan-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1S,3R)-3-benzoxy-1-[2-[(2S,3S)-4-keto-3-methyl-oxetan-2-yl]ethyl]butyl] ester Formula: C23H28O6S MolecularWeight: 432.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC1=O)CCC(CC(C)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H](OC1=O)CC[C@@H](C[C@@H](C)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28O6S/c1-17(27-16-19-9-5-3-6-10-19)15-20(13-14-22-18(2)23(24)28-22)29-30(25,26)21-11-7-4-8-12-21/h3-12,17-18,20,22H,13-16H2,1-2H3/t17-,18+,20+,22+/m1/s1