1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonic acid

Systemtic Name: 1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonic acid Openeye Name: 1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonic acid CAS Name: 1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolinesulfonic acid IUPAC Name: 1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonic acid Traditional Name: 2-keto-1-methyl-4-(trifluoromethyl)quinoline-6-sulfonic acid Formula: C11H8F3NO4S MolecularWeight: 307.24573

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)O)C(=CC1=O)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)O)C(=CC1=O)C(F)(F)F

InChI

InChI=1S/C11H8F3NO4S/c1-15-9-3-2-6(20(17,18)19)4-7(9)8(5-10(15)16)11(12,13)14/h2-5H,1H3,(H,17,18,19)