[(4S)-4-bicyclo[3.2.2]nonanyl] 4-methylbenzenesulfonate

Systemtic Name: [(4S)-4-bicyclo[3.2.2]nonanyl] 4-methylbenzenesulfonate Openeye Name: [(4S)-4-bicyclo[3.2.2]nonanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S)-4-bicyclo[3.2.2]nonanyl] ester IUPAC Name: [(4S)-4-bicyclo[3.2.2]nonanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S)-4-bicyclo[3.2.2]nonanyl] ester Formula: C16H22O3S MolecularWeight: 295.401735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCC3CC[13CH]2CC3

InChI

InChI=1S/C16H22O3S/c1-12-2-9-15(10-3-12)20(17,18)19-16-11-6-13-4-7-14(16)8-5-13/h2-3,9-10,13-14,16H,4-8,11H2,1H3/t13?,14?,16-/m0/s1/i14+1