[2,2,2-tris(fluoranyl)-1-phenyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2,2-tris(fluoranyl)-1-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: (2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,2-trifluoro-1-phenylethyl) ester IUPAC Name: (2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,2-trifluoro-1-phenyl-ethyl) ester Formula: C15H13F3O3S MolecularWeight: 330.32213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3O3S/c1-11-7-9-13(10-8-11)22(19,20)21-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14H,1H3