[(2S,3R)-3-iodanyl-2-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-iodanyl-2-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-hydroxy-3-iodo-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-iodobutyl] ester IUPAC Name: [(2S,3R)-2-hydroxy-3-iodobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-iodo-butyl] ester Formula: C11H15IO4S MolecularWeight: 370.20387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)I)O

Isomeric SMILES

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

InChI

InChI=1S/C11H15IO4S/c1-8-3-5-10(6-4-8)17(14,15)16-7-11(13)9(2)12/h3-6,9,11,13H,7H2,1-2H3/t9-,11+/m1/s1