2-[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]ethanesulfonic acid

Systemtic Name: 2-[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]ethanesulfonic acid Openeye Name: 2-(1-butyl-2,4,6-trioxo-hexahydropyrimidin-1-ium-1-yl)ethanesulfonic acid CAS Name: 2-(1-butyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)ethanesulfonic acid IUPAC Name: 2-(1-butyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)ethanesulfonic acid Traditional Name: 2-(1-butyl-2,4,6-triketo-hexahydropyrimidin-1-ium-1-yl)ethanesulfonic acid Formula: C10H17N2O6S+ MolecularWeight: 293.31678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)CC(=O)NC1=O)CCS(=O)(=O)O

Isomeric SMILES

CCCC[N+]1(C(=O)CC(=O)NC1=O)CCS(=O)(=O)O

InChI

InChI=1S/C10H16N2O6S/c1-2-3-4-12(5-6-19(16,17)18)9(14)7-8(13)11-10(12)15/h2-7H2,1H3,(H-,11,13,15,16,17,18)/p+1