[2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-phenyl-2-(trifluoromethyl)pentyl] ester IUPAC Name: [2-hydroxy-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-phenyl-2-(trifluoromethyl)pentyl] ester Formula: C19H21F3O4S MolecularWeight: 402.42785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3O4S/c1-14-8-10-17(11-9-14)27(24,25)26-13-18(23,19(20,21)22)12-15(2)16-6-4-3-5-7-16/h3-11,15,23H,12-13H2,1-2H3