sodium 2-[1-iodanyl-2,3-bis(oxidanyl)propyl]-2-sulfo-butanedioate

Systemtic Name: sodium 2-[1-iodanyl-2,3-bis(oxidanyl)propyl]-2-sulfo-butanedioate Openeye Name: sodium 2-(2,3-dihydroxy-1-iodo-propyl)-2-sulfo-butanedioate CAS Name: sodium 2-(2,3-dihydroxy-1-iodopropyl)-2-sulfobutanedioate IUPAC Name: sodium 2-(2,3-dihydroxy-1-iodopropyl)-2-sulfobutanedioate Traditional Name: sodium 2-(2,3-dihydroxy-1-iodo-propyl)-2-sulfo-succinate Formula: C7H9INaO9S- MolecularWeight: 419.1002

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O)I)O)O.[Na+]

Isomeric SMILES

C(C(C(C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O)I)O)O.[Na+]

InChI

InChI=1S/C7H11IO9S.Na/c8-5(3(10)2-9)7(6(13)14,1-4(11)12)18(15,16)17;/h3,5,9-10H,1-2H2,(H,11,12)(H,13,14)(H,15,16,17);/q;+1/p-2