[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(trifluoromethylsulfonyloxy)pent-4-enoate

Systemtic Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(trifluoromethylsulfonyloxy)pent-4-enoate Openeye Name: [5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(trifluoromethylsulfonyloxy)pent-4-enoate CAS Name: 2-(trifluoromethylsulfonyloxy)-4-pentenoic acid [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(trifluoromethylsulfonyloxy)pent-4-enoate Traditional Name: 2-triflyloxypent-4-enoic acid (2-cumyl-5-methyl-cyclohexyl) ester Formula: C22H29F3O5S MolecularWeight: 462.52287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC=C)OS(=O)(=O)C(F)(F)F)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(CC=C)OS(=O)(=O)C(F)(F)F)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C22H29F3O5S/c1-5-9-18(30-31(27,28)22(23,24)25)20(26)29-19-14-15(2)12-13-17(19)21(3,4)16-10-7-6-8-11-16/h5-8,10-11,15,17-19H,1,9,12-14H2,2-4H3