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

Systemtic Name: [(2S,3R,4R)-3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,2R,3R)-1-formyl-2,3,4-trihydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4R)-3,4,5-trihydroxy-1-oxopentan-2-yl] ester IUPAC Name: [(2S,3R,4R)-3,4,5-trihydroxy-1-oxopentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R,3R)-1-formyl-2,3,4-trihydroxy-butyl] ester Formula: C12H16O7S MolecularWeight: 304.31624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C=O)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C12H16O7S/c1-8-2-4-9(5-3-8)20(17,18)19-11(7-14)12(16)10(15)6-13/h2-5,7,10-13,15-16H,6H2,1H3/t10-,11-,12-/m1/s1