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

Systemtic Name: 2-oxidanylidene-6-pyrrol-1-yl-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Openeye Name: 2-oxo-6-pyrrol-1-yl-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid CAS Name: 2-oxo-6-(1-pyrrolyl)-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid IUPAC Name: 2-oxo-6-pyrrol-1-yl-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Traditional Name: 2-keto-6-pyrrol-1-yl-7-(trifluoromethyl)-1H-quinoline-3-sulfonic acid Formula: C14H9F3N2O4S MolecularWeight: 358.29247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F3N2O4S/c15-14(16,17)9-7-10-8(5-11(9)19-3-1-2-4-19)6-12(13(20)18-10)24(21,22)23/h1-7H,(H,18,20)(H,21,22,23)