sodium 3-(3-iodanylpropoxymethoxy)benzenesulfonate

Systemtic Name: sodium 3-(3-iodanylpropoxymethoxy)benzenesulfonate Openeye Name: sodium 3-(3-iodopropoxymethoxy)benzenesulfonate CAS Name: sodium 3-(3-iodopropoxymethoxy)benzenesulfonate IUPAC Name: sodium 3-(3-iodopropoxymethoxy)benzenesulfonate Traditional Name: sodium 3-(3-iodopropoxymethoxy)besylate Formula: C10H12INaO5S MolecularWeight: 394.15852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])OCOCCCI.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])OCOCCCI.[Na+]

InChI

InChI=1S/C10H13IO5S.Na/c11-5-2-6-15-8-16-9-3-1-4-10(7-9)17(12,13)14;/h1,3-4,7H,2,5-6,8H2,(H,12,13,14);/q;+1/p-1