[(2R,3S,4R)-4-oxidanyl-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4R)-4-oxidanyl-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S,3R)-2,4-dibenzyloxy-3-hydroxy-1-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4R)-4-hydroxy-3,5-bis(phenylmethoxy)pentan-2-yl] ester IUPAC Name: [(2R,3S,4R)-4-hydroxy-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S,3R)-2,4-dibenzoxy-3-hydroxy-1-methyl-butyl] ester Formula: C26H30O6S MolecularWeight: 470.5778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)[C@H]([C@@H](COCC2=CC=CC=C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30O6S/c1-20-13-15-24(16-14-20)33(28,29)32-21(2)26(31-18-23-11-7-4-8-12-23)25(27)19-30-17-22-9-5-3-6-10-22/h3-16,21,25-27H,17-19H2,1-2H3/t21-,25-,26-/m1/s1