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

Systemtic Name: [1,1,1-tris(fluoranyl)-2-phenyl-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: (2,2,2-trifluoro-1-methyl-1-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1,1-trifluoro-2-phenylpropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-2-phenylpropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,2-trifluoro-1-methyl-1-phenyl-ethyl) ester Formula: C16H15F3O3S MolecularWeight: 344.34871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3O3S/c1-12-8-10-14(11-9-12)23(20,21)22-15(2,16(17,18)19)13-6-4-3-5-7-13/h3-11H,1-2H3