[(2S,3S,4R)-1,4-bis(oxidanyl)-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4R)-1,4-bis(oxidanyl)-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S,3R)-2,4-dibenzyloxy-3-hydroxy-1-(hydroxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4R)-1,4-dihydroxy-3,5-bis(phenylmethoxy)pentan-2-yl] ester IUPAC Name: [(2S,3S,4R)-1,4-dihydroxy-3,5-bis(phenylmethoxy)pentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,3R)-2,4-dibenzoxy-3-hydroxy-1-methylol-butyl] ester Formula: C26H30O7S MolecularWeight: 486.5772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O7S/c1-20-12-14-23(15-13-20)34(29,30)33-25(16-27)26(32-18-22-10-6-3-7-11-22)24(28)19-31-17-21-8-4-2-5-9-21/h2-15,24-28H,16-19H2,1H3/t24-,25+,26+/m1/s1