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

Systemtic Name: 4-[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]benzenesulfonic acid Openeye Name: 4-(1-methyl-2,4,6-trioxo-hexahydropyrimidin-1-ium-1-yl)benzenesulfonic acid CAS Name: 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid IUPAC Name: 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid Traditional Name: 4-(2,4,6-triketo-1-methyl-hexahydropyrimidin-1-ium-1-yl)besylic acid Formula: C11H11N2O6S+ MolecularWeight: 299.27984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6S/c1-13(10(15)6-9(14)12-11(13)16)7-2-4-8(5-3-7)20(17,18)19/h2-5H,6H2,1H3,(H-,12,14,16,17,18,19)/p+1