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

Systemtic Name: [2-(oxan-2-yloxy)-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Openeye Name: [2-tetrahydropyran-2-yloxy-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-oxanyloxy)-2-[4-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-(oxan-2-yloxy)-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-tetrahydropyran-2-yloxy-2-[4-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H23F3O5S MolecularWeight: 444.46453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)C(F)(F)F)OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)C(F)(F)F)OC3CCCCO3

InChI

InChI=1S/C21H23F3O5S/c1-15-5-11-18(12-6-15)30(25,26)28-14-19(29-20-4-2-3-13-27-20)16-7-9-17(10-8-16)21(22,23)24/h5-12,19-20H,2-4,13-14H2,1H3