[(1S,4R,5S)-3-bromanyl-7-oxabicyclo[2.2.1]hept-2-en-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,4R,5S)-3-bromanyl-7-oxabicyclo[2.2.1]hept-2-en-5-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,4R,5S)-3-bromo-7-oxabicyclo[2.2.1]hept-2-en-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,4R,5S)-3-bromo-7-oxabicyclo[2.2.1]hept-2-en-5-yl] ester IUPAC Name: [(1S,4R,5S)-3-bromo-7-oxabicyclo[2.2.1]hept-2-en-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,4R,5S)-3-bromo-7-oxabicyclo[2.2.1]hept-2-en-5-yl] ester Formula: C13H13BrO4S MolecularWeight: 345.20892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3C=C(C2O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]3C=C([C@@H]2O3)Br

InChI

InChI=1S/C13H13BrO4S/c1-8-2-4-10(5-3-8)19(15,16)18-12-7-9-6-11(14)13(12)17-9/h2-6,9,12-13H,7H2,1H3/t9-,12+,13+/m1/s1