sulfuric acid; 2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol

Systemtic Name: sulfuric acid; 2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol Openeye Name: sulfuric acid; 2-[3-[[4-(trifluoromethyl)-2-quinolyl]oxy]propylamino]ethanethiol CAS Name: sulfuric acid; 2-[3-[[4-(trifluoromethyl)-2-quinolinyl]oxy]propylamino]ethanethiol IUPAC Name: sulfuric acid; 2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol Traditional Name: sulfuric acid; 2-[3-[[4-(trifluoromethyl)-2-quinolyl]oxy]propylamino]ethanethiol Formula: C15H19F3N2O5S2 MolecularWeight: 428.44697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)OCCCNCCS)C(F)(F)F.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)OCCCNCCS)C(F)(F)F.OS(=O)(=O)O

InChI

InChI=1S/C15H17F3N2OS.H2O4S/c16-15(17,18)12-10-14(21-8-3-6-19-7-9-22)20-13-5-2-1-4-11(12)13;1-5(2,3)4/h1-2,4-5,10,19,22H,3,6-9H2;(H2,1,2,3,4)