[1,1,1-tris(fluoranyl)-5-methyl-hexan-2-yl] 4-acetyloxy-2-fluoranyl-benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-5-methyl-hexan-2-yl] 4-acetyloxy-2-fluoranyl-benzoate Openeye Name: [4-methyl-1-(trifluoromethyl)pentyl] 4-acetoxy-2-fluoro-benzoate CAS Name: 4-acetyloxy-2-fluorobenzoic acid (1,1,1-trifluoro-5-methylhexan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-5-methylhexan-2-yl) 4-acetyloxy-2-fluorobenzoate Traditional Name: 4-acetoxy-2-fluoro-benzoic acid [4-methyl-1-(trifluoromethyl)pentyl] ester Formula: C16H18F4O4 MolecularWeight: 350.305333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F4O4/c1-9(2)4-7-14(16(18,19)20)24-15(22)12-6-5-11(8-13(12)17)23-10(3)21/h5-6,8-9,14H,4,7H2,1-3H3