6-imidazol-1-yl-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid

Systemtic Name: 6-imidazol-1-yl-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Openeye Name: 6-imidazol-1-yl-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid CAS Name: 6-(1-imidazolyl)-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid IUPAC Name: 6-imidazol-1-yl-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Traditional Name: 6-imidazol-1-yl-2-keto-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Formula: C13H8F3N3O4S MolecularWeight: 359.28053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)C=C(C(=O)N3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C13H8F3N3O4S/c14-13(15,16)8-5-9-7(3-10(8)19-2-1-17-6-19)4-11(12(20)18-9)24(21,22)23/h1-6H,(H,18,20)(H,21,22,23)