[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] ester IUPAC Name: [4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl] ester Formula: C21H24F4O5S MolecularWeight: 464.470873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F4O5S/c1-14-5-8-16(9-6-14)31(27,28)30-13-20(26,21(23,24)25)12-19(2,3)17-11-15(22)7-10-18(17)29-4/h5-11,26H,12-13H2,1-4H3