sodium [2-(3-iodanylpropanoylamino)-5-oxidanidylperoxysulfanyl-phenyl] 3-iodanylpropanoate

Systemtic Name: sodium [2-(3-iodanylpropanoylamino)-5-oxidanidylperoxysulfanyl-phenyl] 3-iodanylpropanoate Openeye Name: sodium [2-(3-iodopropanoylamino)-5-oxidoperoxysulfanyl-phenyl] 3-iodopropanoate CAS Name: sodium 3-iodopropanoic acid [2-[(3-iodo-1-oxopropyl)amino]-5-(oxidodioxythio)phenyl] ester IUPAC Name: sodium [2-(3-iodopropanoylamino)-5-oxidoperoxysulfanylphenyl] 3-iodopropanoate Traditional Name: sodium 3-iodopropionic acid [2-(3-iodopropanoylamino)-5-(oxidoperoxythio)phenyl] ester Formula: C12H12I2NNaO6S MolecularWeight: 575.09049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOO[O-])OC(=O)CCI)NC(=O)CCI.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1SOO[O-])OC(=O)CCI)NC(=O)CCI.[Na+]

InChI

InChI=1S/C12H13I2NO6S.Na/c13-5-3-11(16)15-9-2-1-8(22-21-20-18)7-10(9)19-12(17)4-6-14;/h1-2,7,18H,3-6H2,(H,15,16);/q;+1/p-1