disodium [3-ethyl-5,6-bis(oxidanidylperoxysulfanyl)pyrazin-2-yl] 3-chloranylpropanoate

Systemtic Name: disodium [3-ethyl-5,6-bis(oxidanidylperoxysulfanyl)pyrazin-2-yl] 3-chloranylpropanoate Openeye Name: disodium [3-ethyl-5,6-bis(oxidoperoxysulfanyl)pyrazin-2-yl] 3-chloropropanoate CAS Name: disodium 3-chloropropanoic acid [3-ethyl-5,6-bis(oxidodioxythio)-2-pyrazinyl] ester IUPAC Name: disodium [3-ethyl-5,6-bis(oxidoperoxysulfanyl)pyrazin-2-yl] 3-chloropropanoate Traditional Name: disodium 3-chloropropionic acid [3-ethyl-5,6-bis(oxidoperoxythio)pyrazin-2-yl] ester Formula: C9H9ClN2Na2O8S2 MolecularWeight: 418.7389

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)SOO[O-])SOO[O-])OC(=O)CCCl.[Na+].[Na+]

Isomeric SMILES

CCC1=C(N=C(C(=N1)SOO[O-])SOO[O-])OC(=O)CCCl.[Na+].[Na+]

InChI

InChI=1S/C9H11ClN2O8S2.2Na/c1-2-5-7(16-6(13)3-4-10)12-9(22-20-18-15)8(11-5)21-19-17-14;;/h14-15H,2-4H2,1H3;;/q;2*+1/p-2