3-[2,5-bis(iodanyl)-4-methoxy-phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[2,5-bis(iodanyl)-4-methoxy-phenoxy]propane-1-sulfonic acid Openeye Name: 3-(2,5-diiodo-4-methoxy-phenoxy)propane-1-sulfonic acid CAS Name: 3-(2,5-diiodo-4-methoxyphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(2,5-diiodo-4-methoxyphenoxy)propane-1-sulfonic acid Traditional Name: 3-(2,5-diiodo-4-methoxy-phenoxy)propane-1-sulfonic acid Formula: C10H12I2O5S MolecularWeight: 498.07322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1I)OCCCS(=O)(=O)O)I

Isomeric SMILES

COC1=CC(=C(C=C1I)OCCCS(=O)(=O)O)I

InChI

InChI=1S/C10H12I2O5S/c1-16-9-5-8(12)10(6-7(9)11)17-3-2-4-18(13,14)15/h5-6H,2-4H2,1H3,(H,13,14,15)