1,1,1-tris(fluoranyl)octan-2-yl 3-fluoranyl-4-oxidanyl-benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 3-fluoranyl-4-oxidanyl-benzoate Openeye Name: 1-(trifluoromethyl)heptyl 3-fluoro-4-hydroxy-benzoate CAS Name: 3-fluoro-4-hydroxybenzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 3-fluoro-4-hydroxybenzoate Traditional Name: 3-fluoro-4-hydroxy-benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C15H18F4O3 MolecularWeight: 322.295233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F4O3/c1-2-3-4-5-6-13(15(17,18)19)22-14(21)10-7-8-12(20)11(16)9-10/h7-9,13,20H,2-6H2,1H3