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

Systemtic Name: sodium 3-[2,5-bis(iodanyl)-4-methoxy-phenoxy]propane-1-sulfonate Openeye Name: sodium 3-(2,5-diiodo-4-methoxy-phenoxy)propane-1-sulfonate CAS Name: sodium 3-(2,5-diiodo-4-methoxyphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(2,5-diiodo-4-methoxyphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(2,5-diiodo-4-methoxy-phenoxy)propane-1-sulfonate Formula: C10H11I2NaO5S MolecularWeight: 520.05505

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1I)OCCCS(=O)(=O)[O-])I.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1I)OCCCS(=O)(=O)[O-])I.[Na+]

InChI

InChI=1S/C10H12I2O5S.Na/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);/q;+1/p-1