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

Systemtic Name: 3-chloranyl-5-[1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-ium-1-yl]benzenesulfonic acid Openeye Name: 3-chloro-5-(1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-1-ium-1-yl)benzenesulfonic acid CAS Name: 3-chloro-5-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid IUPAC Name: 3-chloro-5-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-yl)benzenesulfonic acid Traditional Name: 3-chloro-5-(1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-1-ium-1-yl)besylic acid Formula: C16H18ClN2O6S+ MolecularWeight: 401.84192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(C(=O)CC(=O)NC2=O)C3=CC(=CC(=C3)Cl)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)[N+]2(C(=O)CC(=O)NC2=O)C3=CC(=CC(=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C16H17ClN2O6S/c17-10-6-12(8-13(7-10)26(23,24)25)19(11-4-2-1-3-5-11)15(21)9-14(20)18-16(19)22/h6-8,11H,1-5,9H2,(H-,18,20,22,23,24,25)/p+1