4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]benzoate

Systemtic Name: 4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]benzoate Openeye Name: 4-[1-(trifluoromethyl)heptoxycarbonyl]benzoate CAS Name: 4-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]benzoate IUPAC Name: 4-(1,1,1-trifluorooctan-2-yloxycarbonyl)benzoate Traditional Name: 4-[1-(trifluoromethyl)heptoxycarbonyl]benzoate Formula: C16H18F3O4- MolecularWeight: 331.30693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C16H19F3O4/c1-2-3-4-5-6-13(16(17,18)19)23-15(22)12-9-7-11(8-10-12)14(20)21/h7-10,13H,2-6H2,1H3,(H,20,21)/p-1