pentyl 2,4,5-tris(fluoranyl)-3-iodanyl-benzoate

Systemtic Name: pentyl 2,4,5-tris(fluoranyl)-3-iodanyl-benzoate Openeye Name: pentyl 2,4,5-trifluoro-3-iodo-benzoate CAS Name: 2,4,5-trifluoro-3-iodobenzoic acid pentyl ester IUPAC Name: pentyl 2,4,5-trifluoro-3-iodobenzoate Traditional Name: 2,4,5-trifluoro-3-iodo-benzoic acid amyl ester Formula: C12H12F3IO2 MolecularWeight: 372.12216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C(C(=C1F)I)F)F

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C(C(=C1F)I)F)F

InChI

InChI=1S/C12H12F3IO2/c1-2-3-4-5-18-12(17)7-6-8(13)10(15)11(16)9(7)14/h6H,2-5H2,1H3