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

Systemtic Name: 4-[2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-1-ium-1-yl]benzenesulfonic acid Openeye Name: 4-(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-1-ium-1-yl)benzenesulfonic acid CAS Name: 4-(2,4,6-trioxo-1-phenyl-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid IUPAC Name: 4-(2,4,6-trioxo-1-phenyl-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid Traditional Name: 4-(2,4,6-triketo-1-phenyl-hexahydropyrimidin-1-ium-1-yl)besylic acid Formula: C16H13N2O6S+ MolecularWeight: 361.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)[N+](C1=O)(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1C(=O)NC(=O)[N+](C1=O)(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H12N2O6S/c19-14-10-15(20)18(16(21)17-14,11-4-2-1-3-5-11)12-6-8-13(9-7-12)25(22,23)24/h1-9H,10H2,(H-,17,19,21,22,23,24)/p+1