ethyl 4-(3-iodanyl-4-oxidanyl-phenoxy)-3,5-bis(trifluoromethyl)benzoate

Systemtic Name: ethyl 4-(3-iodanyl-4-oxidanyl-phenoxy)-3,5-bis(trifluoromethyl)benzoate Openeye Name: ethyl 4-(4-hydroxy-3-iodo-phenoxy)-3,5-bis(trifluoromethyl)benzoate CAS Name: 4-(4-hydroxy-3-iodophenoxy)-3,5-bis(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-iodophenoxy)-3,5-bis(trifluoromethyl)benzoate Traditional Name: 4-(4-hydroxy-3-iodo-phenoxy)-3,5-bis(trifluoromethyl)benzoic acid ethyl ester Formula: C17H11F6IO4 MolecularWeight: 520.161729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C(F)(F)F)OC2=CC(=C(C=C2)O)I)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C(F)(F)F)OC2=CC(=C(C=C2)O)I)C(F)(F)F

InChI

InChI=1S/C17H11F6IO4/c1-2-27-15(26)8-5-10(16(18,19)20)14(11(6-8)17(21,22)23)28-9-3-4-13(25)12(24)7-9/h3-7,25H,2H2,1H3