3-chloranyl-5-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenesulfonic acid

Systemtic Name: 3-chloranyl-5-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenesulfonic acid Openeye Name: 3-chloro-5-(2,4,6-trioxohexahydropyrimidin-1-yl)benzenesulfonic acid CAS Name: 3-chloro-5-(2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonic acid IUPAC Name: 3-chloro-5-(2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonic acid Traditional Name: 3-chloro-5-(2,4,6-triketohexahydropyrimidin-1-yl)besylic acid Formula: C10H7ClN2O6S MolecularWeight: 318.69038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

C1C(=O)NC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H7ClN2O6S/c11-5-1-6(3-7(2-5)20(17,18)19)13-9(15)4-8(14)12-10(13)16/h1-3H,4H2,(H,12,14,16)(H,17,18,19)