N,N-dimethylcarbamothioate; quinoline-3-carboxylic acid; tris(fluoranyl)methanesulfonic acid

Systemtic Name: N,N-dimethylcarbamothioate; quinoline-3-carboxylic acid; tris(fluoranyl)methanesulfonic acid Openeye Name: N,N-dimethylcarbamothioate; quinoline-3-carboxylic acid; trifluoromethanesulfonic acid CAS Name: N,N-dimethylcarbamothioate; 3-quinolinecarboxylic acid; trifluoromethanesulfonic acid IUPAC Name: N,N-dimethylcarbamothioate; quinoline-3-carboxylic acid; trifluoromethanesulfonic acid Traditional Name: N,N-dimethylthiocarbamate; quinoline-3-carboxylic acid; triflic acid Formula: C14H14F3N2O6S2- MolecularWeight: 427.39597

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)[O-].C1=CC=C2C(=C1)C=C(C=N2)C(=O)O.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CN(C)C(=S)[O-].C1=CC=C2C(=C1)C=C(C=N2)C(=O)O.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C10H7NO2.C3H7NOS.CHF3O3S/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-4(2)3(5)6;2-1(3,4)8(5,6)7/h1-6H,(H,12,13);1-2H3,(H,5,6);(H,5,6,7)/p-1