[1,1,1,3,3-pentakis(fluoranyl)-4-methyl-pentan-2-yl] benzoate

Systemtic Name: [1,1,1,3,3-pentakis(fluoranyl)-4-methyl-pentan-2-yl] benzoate Openeye Name: [2,2-difluoro-3-methyl-1-(trifluoromethyl)butyl] benzoate CAS Name: benzoic acid (1,1,1,3,3-pentafluoro-4-methylpentan-2-yl) ester IUPAC Name: (1,1,1,3,3-pentafluoro-4-methylpentan-2-yl) benzoate Traditional Name: benzoic acid [2,2-difluoro-3-methyl-1-(trifluoromethyl)butyl] ester Formula: C13H13F5O2 MolecularWeight: 296.233136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(F)(F)F)OC(=O)C1=CC=CC=C1)(F)F

Isomeric SMILES

CC(C)C(C(C(F)(F)F)OC(=O)C1=CC=CC=C1)(F)F

InChI

InChI=1S/C13H13F5O2/c1-8(2)12(14,15)11(13(16,17)18)20-10(19)9-6-4-3-5-7-9/h3-8,11H,1-2H3