[(E,2R,3R)-2,3-bis(oxidanyl)oct-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R,3R)-2,3-bis(oxidanyl)oct-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R,3R)-2,3-dihydroxyoct-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2,3-dihydroxyoct-4-enyl] ester IUPAC Name: [(E,2R,3R)-2,3-dihydroxyoct-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2,3-dihydroxyoct-4-enyl] ester Formula: C15H22O5S MolecularWeight: 314.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-3-4-5-6-14(16)15(17)11-20-21(18,19)13-9-7-12(2)8-10-13/h5-10,14-17H,3-4,11H2,1-2H3/b6-5+/t14-,15-/m1/s1