5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate

Systemtic Name: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate Openeye Name: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-bicyclo[2.1.1]hexanylmethyl ester IUPAC Name: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-bicyclo[2.1.1]hexanylmethyl ester Formula: C14H18O3S MolecularWeight: 266.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCC2C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCC2C3

InChI

InChI=1S/C14H18O3S/c1-10-2-6-13(7-3-10)18(15,16)17-9-14-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3