2-iodyl-3,5-bis(trifluoromethyl)benzoic acid

Systemtic Name: 2-iodyl-3,5-bis(trifluoromethyl)benzoic acid Openeye Name: 2-iodyl-3,5-bis(trifluoromethyl)benzoic acid CAS Name: 2-iodyl-3,5-bis(trifluoromethyl)benzoic acid IUPAC Name: 2-iodyl-3,5-bis(trifluoromethyl)benzoic acid Traditional Name: 2-iodyl-3,5-bis(trifluoromethyl)benzoic acid Formula: C9H3F6IO4 MolecularWeight: 416.012609

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(F)(F)F)I(=O)=O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1C(F)(F)F)I(=O)=O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H3F6IO4/c10-8(11,12)3-1-4(7(17)18)6(16(19)20)5(2-3)9(13,14)15/h1-2H,(H,17,18)