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

Systemtic Name: 2,4-bis(fluoranyl)-6-[2,4,5,7-tetrakis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-4,6-difluoro-benzoic acid CAS Name: 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-9-xanthen-10-iumyl)-4,6-difluorobenzoic acid IUPAC Name: 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-10-ium-9-yl)-4,6-difluorobenzoic acid Traditional Name: 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-4,6-difluoro-benzoic acid Formula: C20H7F2I4O5+ MolecularWeight: 872.881266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H6F2I4O5/c21-5-1-6(13(20(29)30)9(22)2-5)12-7-3-10(23)16(27)14(25)18(7)31-19-8(12)4-11(24)17(28)15(19)26/h1-4H,(H2-,27,28,29,30)/p+1