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

Systemtic Name: [1-cyano-2,2,2-tris(fluoranyl)-1-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: (1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyano-2,2,2-trifluoro-1-phenylethyl) ester IUPAC Name: (1-cyano-2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) ester Formula: C16H12F3NO3S MolecularWeight: 355.33159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO3S/c1-12-7-9-14(10-8-12)24(21,22)23-15(11-20,16(17,18)19)13-5-3-2-4-6-13/h2-10H,1H3