sodium; hydrogen carbonate; 7-iodanyl-8-oxidanyl-quinoline-5-sulfonic acid

Systemtic Name: sodium; hydrogen carbonate; 7-iodanyl-8-oxidanyl-quinoline-5-sulfonic acid Openeye Name: sodium; hydrogen carbonate; 8-hydroxy-7-iodo-quinoline-5-sulfonic acid CAS Name: sodium; hydrogen carbonate; 8-hydroxy-7-iodo-5-quinolinesulfonic acid IUPAC Name: sodium; hydrogen carbonate; 8-hydroxy-7-iodoquinoline-5-sulfonic acid Traditional Name: sodium 8-hydroxy-7-iodo-quinoline-5-sulfonic acid bicarbonate Formula: C10H7INNaO7S MolecularWeight: 435.12432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1.C(=O)(O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1.C(=O)(O)[O-].[Na+]

InChI

InChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1