[4-(4-fluorophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] ester IUPAC Name: [4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] ester Formula: C20H22F4O4S MolecularWeight: 434.444893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F4O4S/c1-14-4-10-17(11-5-14)29(26,27)28-13-19(25,20(22,23)24)12-18(2,3)15-6-8-16(21)9-7-15/h4-11,25H,12-13H2,1-3H3