[(2R,3R,4R)-4-oxidanyl-1,3-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,4R)-4-oxidanyl-1,3-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R,3R)-2-benzyloxy-1-(benzyloxymethyl)-3-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4R)-4-hydroxy-1,3-bis(phenylmethoxy)pentan-2-yl] ester IUPAC Name: [(2R,3R,4R)-4-hydroxy-1,3-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,3R)-2-benzoxy-1-(benzoxymethyl)-3-hydroxy-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(COCC2=CC=CC=C2)C(C(C)O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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