2,3,4-tris(fluoranyl)-6-[2,4,5,7-tetrakis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoic acid

Systemtic Name: 2,3,4-tris(fluoranyl)-6-[2,4,5,7-tetrakis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: 6-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-2,3,4-trifluoro-benzoic acid CAS Name: 6-(3,6-dihydroxy-2,4,5,7-tetraiodo-9-xanthen-10-iumyl)-2,3,4-trifluorobenzoic acid IUPAC Name: 6-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-10-ium-9-yl)-2,3,4-trifluorobenzoic acid Traditional Name: 6-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-2,3,4-trifluoro-benzoic acid Formula: C20H6F3I4O5+ MolecularWeight: 890.87173

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1F)F)F)C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I

Isomeric SMILES

C1=C(C(=C(C(=C1F)F)F)C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I

InChI

InChI=1S/C20H5F3I4O5/c21-7-1-4(11(20(30)31)13(23)12(7)22)10-5-2-8(24)16(28)14(26)18(5)32-19-6(10)3-9(25)17(29)15(19)27/h1-3H,(H2-,28,29,30,31)/p+1