2-[4-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-(trifluoromethyl)phenyl]ethyl ester IUPAC Name: 2-[4-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(trifluoromethyl)phenyl]ethyl ester Formula: C16H15F3O3S MolecularWeight: 344.34871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3O3S/c1-12-2-8-15(9-3-12)23(20,21)22-11-10-13-4-6-14(7-5-13)16(17,18)19/h2-9H,10-11H2,1H3