3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid

Systemtic Name: 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid Openeye Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoic acid IUPAC Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoic acid Traditional Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid Formula: C16H11ClF3NO6 MolecularWeight: 405.70985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)O)CCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)O)CCO

InChI

InChI=1S/C16H11ClF3NO6/c17-10-7-8(16(18,19)20)1-3-13(10)27-12-4-2-11(21(25)26)14(15(23)24)9(12)5-6-22/h1-4,7,22H,5-6H2,(H,23,24)