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

Systemtic Name: sodium 3,4-bis(fluoranyl)-2-[2,4,5,7-tetrakis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: sodium 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-3,4-difluoro-benzoic acid CAS Name: sodium 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-9-xanthen-10-iumyl)-3,4-difluorobenzoic acid IUPAC Name: sodium 2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-10-ium-9-yl)-3,4-difluorobenzoic acid Traditional Name: sodium 2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)-3,4-difluoro-benzoic acid Formula: C20H7F2I4NaO5+2 MolecularWeight: 895.871036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I)F)F.[Na+]

InChI

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