[6,6,6-tris(fluoranyl)-3-methyl-4-(phenylcarbonyloxy)hexan-2-yl] benzoate

Systemtic Name: [6,6,6-tris(fluoranyl)-3-methyl-4-(phenylcarbonyloxy)hexan-2-yl] benzoate Openeye Name: (3-benzoyloxy-5,5,5-trifluoro-1,2-dimethyl-pentyl) benzoate CAS Name: benzoic acid (4-benzoyloxy-6,6,6-trifluoro-3-methylhexan-2-yl) ester IUPAC Name: (4-benzoyloxy-6,6,6-trifluoro-3-methylhexan-2-yl) benzoate Traditional Name: benzoic acid (3-benzoyloxy-5,5,5-trifluoro-1,2-dimethyl-pentyl) ester Formula: C21H21F3O4 MolecularWeight: 394.38425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3O4/c1-14(15(2)27-19(25)16-9-5-3-6-10-16)18(13-21(22,23)24)28-20(26)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3