[(2R,3R)-1,2-bis(oxidanyl)hex-5-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-1,2-bis(oxidanyl)hex-5-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(1R)-1,2-dihydroxyethyl]but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-1,2-dihydroxyhex-5-en-3-yl] ester IUPAC Name: [(2R,3R)-1,2-dihydroxyhex-5-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(1R)-1,2-dihydroxyethyl]but-3-enyl] ester Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-3-4-13(12(15)9-14)18-19(16,17)11-7-5-10(2)6-8-11/h3,5-8,12-15H,1,4,9H2,2H3/t12-,13-/m1/s1