2-fluoranyl-6-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-fluoranyl-6-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-fluoro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-fluoro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-fluoro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-fluoro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-keto-xanthen-9-yl)benzoic acid Formula: C20H7FI4O5 MolecularWeight: 853.882863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)O)I)I)I

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)O)I)I)I

InChI

InChI=1S/C20H7FI4O5/c21-9-3-1-2-6(13(9)20(28)29)12-7-4-10(22)16(26)14(24)18(7)30-19-8(12)5-11(23)17(27)15(19)25/h1-5,26H,(H,28,29)