(3-bromanyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-bromanyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate Openeye Name: (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl ester IUPAC Name: (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)(C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)(C3)Br

InChI

InChI=1S/C13H15BrO3S/c1-10-2-4-11(5-3-10)18(15,16)17-9-12-6-13(14,7-12)8-12/h2-5H,6-9H2,1H3