[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-oxidanyl-4-phenylmethoxy-oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-oxidanyl-4-phenylmethoxy-oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4R,5S,6S)-4-benzyloxy-5-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4R,5S,6S)-4-benzoxy-5-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C21H26O7S MolecularWeight: 422.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H26O7S/c1-14-9-11-17(12-10-14)29(23,24)28-20-19(18(22)15(2)27-21(20)25-3)26-13-16-7-5-4-6-8-16/h4-12,15,18-22H,13H2,1-3H3/t15-,18-,19+,20+,21+/m0/s1