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

Systemtic Name: [1,1,1,3,3-pentakis(fluoranyl)-4-methyl-4-oxidanyl-pentan-2-yl] benzoate Openeye Name: [2,2-difluoro-3-hydroxy-3-methyl-1-(trifluoromethyl)butyl] benzoate CAS Name: benzoic acid (1,1,1,3,3-pentafluoro-4-hydroxy-4-methylpentan-2-yl) ester IUPAC Name: (1,1,1,3,3-pentafluoro-4-hydroxy-4-methylpentan-2-yl) benzoate Traditional Name: benzoic acid [2,2-difluoro-3-hydroxy-3-methyl-1-(trifluoromethyl)butyl] ester Formula: C13H13F5O3 MolecularWeight: 312.232536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F5O3/c1-11(2,20)12(14,15)10(13(16,17)18)21-9(19)8-6-4-3-5-7-8/h3-7,10,20H,1-2H3