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

Systemtic Name: [4-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentyl] ester IUPAC Name: [4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)pentyl] ester Formula: C20H22F4O5S MolecularWeight: 450.444293

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22F4O5S/c1-13-4-7-16(8-5-13)30(26,27)29-12-19(25,20(22,23)24)11-14(2)17-10-15(21)6-9-18(17)28-3/h4-10,14,25H,11-12H2,1-3H3