[2-[[1-[2,5-bis(fluoranyl)phenyl]cyclopropyl]methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[1-[2,5-bis(fluoranyl)phenyl]cyclopropyl]methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[[1-(2,5-difluorophenyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[1-(2,5-difluorophenyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-hydroxypropyl] ester IUPAC Name: [2-[[1-(2,5-difluorophenyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[[1-(2,5-difluorophenyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-hydroxy-propyl] ester Formula: C20H19F5O4S MolecularWeight: 450.419476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2(CC2)C3=C(C=CC(=C3)F)F)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2(CC2)C3=C(C=CC(=C3)F)F)(C(F)(F)F)O

InChI

InChI=1S/C20H19F5O4S/c1-13-2-5-15(6-3-13)30(27,28)29-12-19(26,20(23,24)25)11-18(8-9-18)16-10-14(21)4-7-17(16)22/h2-7,10,26H,8-9,11-12H2,1H3