3-[[2-(trifluoromethyloxy)phenyl]methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(trifluoromethyloxy)phenyl]methylamino]propane-1-sulfonic acid Openeye Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1-sulfonic acid CAS Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(trifluoromethoxy)benzyl]amino]propane-1-sulfonic acid Formula: C11H14F3NO4S MolecularWeight: 313.29337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCCS(=O)(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNCCCS(=O)(=O)O)OC(F)(F)F

InChI

InChI=1S/C11H14F3NO4S/c12-11(13,14)19-10-5-2-1-4-9(10)8-15-6-3-7-20(16,17)18/h1-2,4-5,15H,3,6-8H2,(H,16,17,18)