3-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 3-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoic acid Formula: C14H6ClF3N2O7 MolecularWeight: 406.65485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H6ClF3N2O7/c15-10-8(14(16,17)18)5-9(19(23)24)12(11(10)20(25)26)27-7-3-1-2-6(4-7)13(21)22/h1-5H,(H,21,22)