3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid Formula: C14H8F3NO5 MolecularWeight: 327.21223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H8F3NO5/c15-14(16,17)11-7-9(18(21)22)4-5-12(11)23-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)