disodium 3-[4-(3-oxidanidylperoxysulfanylpropoxy)phenoxy]propane-1-sulfonate

Systemtic Name: disodium 3-[4-(3-oxidanidylperoxysulfanylpropoxy)phenoxy]propane-1-sulfonate Openeye Name: disodium 3-[4-(3-oxidoperoxysulfanylpropoxy)phenoxy]propane-1-sulfonate CAS Name: disodium 3-[4-[3-(oxidodioxythio)propoxy]phenoxy]-1-propanesulfonate IUPAC Name: disodium 3-[4-(3-oxidoperoxysulfanylpropoxy)phenoxy]propane-1-sulfonate Traditional Name: disodium 3-[4-[3-(oxidoperoxythio)propoxy]phenoxy]propane-1-sulfonate Formula: C12H16Na2O8S2 MolecularWeight: 398.36018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCSOO[O-])OCCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCCSOO[O-])OCCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H18O8S2.2Na/c13-19-20-21-9-1-7-17-11-3-5-12(6-4-11)18-8-2-10-22(14,15)16;;/h3-6,13H,1-2,7-10H2,(H,14,15,16);;/q;2*+1/p-2