2-chloranyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine-5-sulfonic acid

Systemtic Name: 2-chloranyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine-5-sulfonic acid Openeye Name: 2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine-5-sulfonic acid CAS Name: 2-chloro-4-(2,2,2-trifluoroethoxy)-5-pyrimidinesulfonic acid IUPAC Name: 2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine-5-sulfonic acid Traditional Name: 2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine-5-sulfonic acid Formula: C6H4ClF3N2O4S MolecularWeight: 292.62017

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)Cl)OCC(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C1=C(C(=NC(=N1)Cl)OCC(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C6H4ClF3N2O4S/c7-5-11-1-3(17(13,14)15)4(12-5)16-2-6(8,9)10/h1H,2H2,(H,13,14,15)