disodium 2-[5-(2-oxidanidylperoxysulfanylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]ethanesulfonate

Systemtic Name: disodium 2-[5-(2-oxidanidylperoxysulfanylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]ethanesulfonate Openeye Name: disodium 2-[5-(2-oxidoperoxysulfanylethyl)-2-thioxo-1,3,5-triazinan-1-yl]ethanesulfonate CAS Name: disodium 2-[5-[2-(oxidodioxythio)ethyl]-2-sulfanylidene-1,3,5-triazinan-1-yl]ethanesulfonate IUPAC Name: disodium 2-[5-(2-oxidoperoxysulfanylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]ethanesulfonate Traditional Name: disodium 2-[5-[2-(oxidoperoxythio)ethyl]-2-thioxo-1,3,5-triazinan-1-yl]ethanesulfonate Formula: C7H13N3Na2O6S3 MolecularWeight: 377.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(CN1CCSOO[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1NC(=S)N(CN1CCSOO[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H15N3O6S3.2Na/c11-15-16-18-3-1-9-5-8-7(17)10(6-9)2-4-19(12,13)14;;/h11H,1-6H2,(H,8,17)(H,12,13,14);;/q;2*+1/p-2