4-azanyl-3-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid

Systemtic Name: 4-azanyl-3-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 4-amino-3-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 4-amino-3-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 4-amino-3-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 4-amino-3-(2,2,2-trifluoroethoxy)benzoic acid Formula: C9H8F3NO3 MolecularWeight: 235.15993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)OCC(F)(F)F)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)OCC(F)(F)F)N

InChI

InChI=1S/C9H8F3NO3/c10-9(11,12)4-16-7-3-5(8(14)15)1-2-6(7)13/h1-3H,4,13H2,(H,14,15)