2-[4-(3-iodanyl-4-oxidanyl-phenoxy)-3,5-bis(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-iodanyl-4-oxidanyl-phenoxy)-3,5-bis(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-bis(trifluoromethyl)phenyl]acetic acid CAS Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-bis(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-bis(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-bis(trifluoromethyl)phenyl]acetic acid Formula: C16H9F6IO4 MolecularWeight: 506.135149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2C(F)(F)F)CC(=O)O)C(F)(F)F)I)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2C(F)(F)F)CC(=O)O)C(F)(F)F)I)O

InChI

InChI=1S/C16H9F6IO4/c17-15(18,19)9-3-7(5-13(25)26)4-10(16(20,21)22)14(9)27-8-1-2-12(24)11(23)6-8/h1-4,6,24H,5H2,(H,25,26)