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

Systemtic Name: sodium 5-chloranyl-2-[2,4,5,7-tetrakis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoic acid Openeye Name: sodium 5-chloro-2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)benzoic acid CAS Name: sodium 5-chloro-2-(3,6-dihydroxy-2,4,5,7-tetraiodo-9-xanthen-10-iumyl)benzoic acid IUPAC Name: sodium 5-chloro-2-(3,6-dihydroxy-2,4,5,7-tetraiodoxanthen-10-ium-9-yl)benzoic acid Traditional Name: sodium 5-chloro-2-(3,6-dihydroxy-2,4,5,7-tetraiodo-xanthen-10-ium-9-yl)benzoic acid Formula: C20H8ClI4NaO5+2 MolecularWeight: 894.33517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)I)O)I)I)O)I.[Na+]

InChI

InChI=1S/C20H7ClI4O5.Na/c21-6-1-2-7(8(3-6)20(28)29)13-9-4-11(22)16(26)14(24)18(9)30-19-10(13)5-12(23)17(27)15(19)25;/h1-5H,(H2-,26,27,28,29);/q;+1/p+1