sodium [2-(3-iodanylpropanoylamino)-4-oxidanidylperoxysulfanyl-phenyl] 2-iodanylethanesulfonate

Systemtic Name: sodium [2-(3-iodanylpropanoylamino)-4-oxidanidylperoxysulfanyl-phenyl] 2-iodanylethanesulfonate Openeye Name: sodium [2-(3-iodopropanoylamino)-4-oxidoperoxysulfanyl-phenyl] 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [2-[(3-iodo-1-oxopropyl)amino]-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium [2-(3-iodopropanoylamino)-4-oxidoperoxysulfanylphenyl] 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [2-(3-iodopropanoylamino)-4-(oxidoperoxythio)phenyl] ester Formula: C11H12I2NNaO7S2 MolecularWeight: 611.14419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13I2NO7S2.Na/c12-4-3-11(15)14-9-7-8(22-21-20-16)1-2-10(9)19-23(17,18)6-5-13;/h1-2,7,16H,3-6H2,(H,14,15);/q;+1/p-1