4-[4-azanyl-2,3,6-tris(fluoranyl)-5-oxidanyl-phenoxy]benzoic acid

Systemtic Name: 4-[4-azanyl-2,3,6-tris(fluoranyl)-5-oxidanyl-phenoxy]benzoic acid Openeye Name: 4-(4-amino-2,3,6-trifluoro-5-hydroxy-phenoxy)benzoic acid CAS Name: 4-(4-amino-2,3,6-trifluoro-5-hydroxyphenoxy)benzoic acid IUPAC Name: 4-(4-amino-2,3,6-trifluoro-5-hydroxyphenoxy)benzoic acid Traditional Name: 4-(4-amino-2,3,6-trifluoro-5-hydroxy-phenoxy)benzoic acid Formula: C13H8F3NO4 MolecularWeight: 299.20213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=C(C(=C(C(=C2F)F)N)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=C(C(=C(C(=C2F)F)N)O)F

InChI

InChI=1S/C13H8F3NO4/c14-7-8(15)12(9(16)11(18)10(7)17)21-6-3-1-5(2-4-6)13(19)20/h1-4,18H,17H2,(H,19,20)