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

Systemtic Name: 4-[1-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]-3-methyl-benzenesulfonic acid Openeye Name: 4-(1-ethyl-2,4,6-trioxo-hexahydropyrimidin-1-ium-1-yl)-3-methyl-benzenesulfonic acid CAS Name: 4-(1-ethyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)-3-methylbenzenesulfonic acid IUPAC Name: 4-(1-ethyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)-3-methylbenzenesulfonic acid Traditional Name: 4-(1-ethyl-2,4,6-triketo-hexahydropyrimidin-1-ium-1-yl)-3-methyl-besylic acid Formula: C13H15N2O6S+ MolecularWeight: 327.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6S/c1-3-15(12(17)7-11(16)14-13(15)18)10-5-4-9(6-8(10)2)22(19,20)21/h4-6H,3,7H2,1-2H3,(H-,14,16,18,19,20,21)/p+1