[3-ethyl-5,6-bis(trioxidanylsulfanyl)pyrazin-2-yl] 3-bromanylpropanoate

Systemtic Name: [3-ethyl-5,6-bis(trioxidanylsulfanyl)pyrazin-2-yl] 3-bromanylpropanoate Openeye Name: [3-ethyl-5,6-bis(trioxidanylsulfanyl)pyrazin-2-yl] 3-bromopropanoate CAS Name: 3-bromopropanoic acid [3-ethyl-5,6-bis(trioxidanylthio)-2-pyrazinyl] ester IUPAC Name: [3-ethyl-5,6-bis(trioxidanylsulfanyl)pyrazin-2-yl] 3-bromopropanoate Traditional Name: 3-bromopropionic acid [3-ethyl-5,6-bis(trioxidanylthio)pyrazin-2-yl] ester Formula: C9H11BrN2O8S2 MolecularWeight: 419.22624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)SOOO)SOOO)OC(=O)CCBr

Isomeric SMILES

CCC1=C(N=C(C(=N1)SOOO)SOOO)OC(=O)CCBr

InChI

InChI=1S/C9H11BrN2O8S2/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