2-[1-methyl-4-sulfanylidene-6-[2-(trioxidanylsulfanyl)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid

Systemtic Name: 2-[1-methyl-4-sulfanylidene-6-[2-(trioxidanylsulfanyl)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid Openeye Name: 2-[1-methyl-4-thioxo-6-[2-(trioxidanylsulfanyl)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid CAS Name: 2-[1-methyl-4-sulfanylidene-6-[2-(trioxidanylthio)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid IUPAC Name: 2-[1-methyl-4-sulfanylidene-6-[2-(trioxidanylsulfanyl)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid Traditional Name: 2-[1-methyl-4-thioxo-6-[2-(trioxidanylthio)ethyl]-1,3,5-triazinan-2-yl]ethanesulfonic acid Formula: C8H17N3O6S3 MolecularWeight: 347.43208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC(=S)NC1CCS(=O)(=O)O)CCSOOO

Isomeric SMILES

CN1C(NC(=S)NC1CCS(=O)(=O)O)CCSOOO

InChI

InChI=1S/C8H17N3O6S3/c1-11-6(2-4-19-17-16-12)9-8(18)10-7(11)3-5-20(13,14)15/h6-7,12H,2-5H2,1H3,(H2,9,10,18)(H,13,14,15)