[(1R,2S)-1-(2-chloroethyl)-2-ethyl-cyclopropyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S)-1-(2-chloroethyl)-2-ethyl-cyclopropyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-1-(2-chloroethyl)-2-ethyl-cyclopropyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropyl] ester IUPAC Name: [(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-1-(2-chloroethyl)-2-ethyl-cyclopropyl] ester Formula: C14H19ClO3S MolecularWeight: 302.81686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(CCCl)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H]1C[C@]1(CCCl)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H19ClO3S/c1-3-12-10-14(12,8-9-15)18-19(16,17)13-6-4-11(2)5-7-13/h4-7,12H,3,8-10H2,1-2H3/t12-,14-/m0/s1