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

Systemtic Name: 4-[1-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]benzenesulfonic acid Openeye Name: 4-(1-ethyl-2,4,6-trioxo-hexahydropyrimidin-1-ium-1-yl)benzenesulfonic acid CAS Name: 4-(1-ethyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid IUPAC Name: 4-(1-ethyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid Traditional Name: 4-(1-ethyl-2,4,6-triketo-hexahydropyrimidin-1-ium-1-yl)besylic acid Formula: C12H13N2O6S+ MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)CC(=O)NC1=O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC[N+]1(C(=O)CC(=O)NC1=O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O6S/c1-2-14(11(16)7-10(15)13-12(14)17)8-3-5-9(6-4-8)21(18,19)20/h3-6H,2,7H2,1H3,(H-,13,15,17,18,19,20)/p+1