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

Systemtic Name: [(2R,3S)-3-iodanyl-2-methyl-2-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-hydroxy-3-iodo-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3-iodo-2-methylpentyl] ester IUPAC Name: [(2R,3S)-2-hydroxy-3-iodo-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3-iodo-2-methyl-pentyl] ester Formula: C13H19IO4S MolecularWeight: 398.25703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(COS(=O)(=O)C1=CC=C(C=C1)C)O)I

Isomeric SMILES

CC[C@@H]([C@@](C)(COS(=O)(=O)C1=CC=C(C=C1)C)O)I

InChI

InChI=1S/C13H19IO4S/c1-4-12(14)13(3,15)9-18-19(16,17)11-7-5-10(2)6-8-11/h5-8,12,15H,4,9H2,1-3H3/t12-,13+/m0/s1