5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid

Systemtic Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid Openeye Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid CAS Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitrobenzoic acid IUPAC Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitrobenzoic acid Traditional Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid Formula: C17H11F6NO6 MolecularWeight: 439.262759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F6NO6/c18-16(19,20)9-1-2-13(12(6-9)17(21,22)23)30-10-5-8(3-4-25)14(24(28)29)11(7-10)15(26)27/h1-2,5-7,25H,3-4H2,(H,26,27)