sodium 1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonate

Systemtic Name: sodium 1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonate Openeye Name: sodium 1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonate CAS Name: sodium 1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolinesulfonate IUPAC Name: sodium 1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonate Traditional Name: sodium 2-keto-1-methyl-4-(trifluoromethyl)quinoline-6-sulfonate Formula: C11H7F3NNaO4S MolecularWeight: 329.22756

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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.[Na+]

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=CC1=O)C(F)(F)F.[Na+]

InChI

InChI=1S/C11H8F3NO4S.Na/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);/q;+1/p-1