4-[2,2,2-tris(fluoranyl)-1-hexoxy-ethyl]benzoate

Systemtic Name: 4-[2,2,2-tris(fluoranyl)-1-hexoxy-ethyl]benzoate Openeye Name: 4-(2,2,2-trifluoro-1-hexoxy-ethyl)benzoate CAS Name: 4-(2,2,2-trifluoro-1-hexoxyethyl)benzoate IUPAC Name: 4-(2,2,2-trifluoro-1-hexoxyethyl)benzoate Traditional Name: 4-(2,2,2-trifluoro-1-hexoxy-ethyl)benzoate Formula: C15H18F3O3- MolecularWeight: 303.29683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C1=CC=C(C=C1)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCCCOC(C1=CC=C(C=C1)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H19F3O3/c1-2-3-4-5-10-21-13(15(16,17)18)11-6-8-12(9-7-11)14(19)20/h6-9,13H,2-5,10H2,1H3,(H,19,20)/p-1