[3,3-bis(fluoranyl)-4-methyl-4-oxidanyl-pentyl] benzoate

Systemtic Name: [3,3-bis(fluoranyl)-4-methyl-4-oxidanyl-pentyl] benzoate Openeye Name: (3,3-difluoro-4-hydroxy-4-methyl-pentyl) benzoate CAS Name: benzoic acid (3,3-difluoro-4-hydroxy-4-methylpentyl) ester IUPAC Name: (3,3-difluoro-4-hydroxy-4-methylpentyl) benzoate Traditional Name: benzoic acid (3,3-difluoro-4-hydroxy-4-methyl-pentyl) ester Formula: C13H16F2O3 MolecularWeight: 258.261146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2O3/c1-12(2,17)13(14,15)8-9-18-11(16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3