[2,2,2-tris(fluoranyl)-1-(2-methyl-1H-imidazol-5-yl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2,2-tris(fluoranyl)-1-(2-methyl-1H-imidazol-5-yl)ethyl] 4-methylbenzenesulfonate Openeye Name: [2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethyl] ester IUPAC Name: [2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethyl] ester Formula: C13H13F3N2O3S MolecularWeight: 334.31413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CN=C(N2)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CN=C(N2)C)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O3S/c1-8-3-5-10(6-4-8)22(19,20)21-12(13(14,15)16)11-7-17-9(2)18-11/h3-7,12H,1-2H3,(H,17,18)