3-[[4-(trifluoromethyloxy)phenyl]methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[4-(trifluoromethyloxy)phenyl]methylamino]propane-1-sulfonic acid Openeye Name: 3-[[4-(trifluoromethoxy)phenyl]methylamino]propane-1-sulfonic acid CAS Name: 3-[[4-(trifluoromethoxy)phenyl]methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[4-(trifluoromethoxy)phenyl]methylamino]propane-1-sulfonic acid Traditional Name: 3-[[4-(trifluoromethoxy)benzyl]amino]propane-1-sulfonic acid Formula: C11H14F3NO4S MolecularWeight: 313.29337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCS(=O)(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNCCCS(=O)(=O)O)OC(F)(F)F

InChI

InChI=1S/C11H14F3NO4S/c12-11(13,14)19-10-4-2-9(3-5-10)8-15-6-1-7-20(16,17)18/h2-5,15H,1,6-8H2,(H,16,17,18)