[3,3,3-tris(fluoranyl)-2-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3,3-tris(fluoranyl)-2-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: (3,3,3-trifluoro-2-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3,3-trifluoro-2-phenylpropyl) ester IUPAC Name: (3,3,3-trifluoro-2-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,3,3-trifluoro-2-phenyl-propyl) ester Formula: C16H15F3O3S MolecularWeight: 344.34871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3O3S/c1-12-7-9-14(10-8-12)23(20,21)22-11-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3