sodium 1-(2-ethylhexoxy)-4-iodanyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: sodium 1-(2-ethylhexoxy)-4-iodanyloxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: sodium 1-(2-ethylhexoxy)-4-iodooxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 1-(2-ethylhexoxy)-4-iodooxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: sodium 1-(2-ethylhexoxy)-4-iodooxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: sodium 1-(2-ethylhexoxy)-4-iodooxy-1,4-diketo-butane-2-sulfonic acid Formula: C12H21INaO7S+ MolecularWeight: 459.25018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CC(=O)OI)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)C(CC(=O)OI)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H21IO7S.Na/c1-3-5-6-9(4-2)8-19-12(15)10(21(16,17)18)7-11(14)20-13;/h9-10H,3-8H2,1-2H3,(H,16,17,18);/q;+1