5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-benzofuran-3-carboxylic acid CAS Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-3-benzofurancarboxylic acid IUPAC Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-benzofuran-3-carboxylic acid Formula: C22H11F3N2O8 MolecularWeight: 488.32655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)OC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)OC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H11F3N2O8/c23-22(24,25)12-8-15(26(30)31)20(16(9-12)27(32)33)34-13-6-7-17-14(10-13)18(21(28)29)19(35-17)11-4-2-1-3-5-11/h1-10H,(H,28,29)