5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(3-oxidanylpropyl)benzoate

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(3-oxidanylpropyl)benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxypropyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxypropyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxypropyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxypropyl)-2-nitro-benzoate Formula: C17H12ClF3NO6- MolecularWeight: 418.72849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3NO6/c18-13-7-10(17(19,20)21)3-4-14(13)28-11-6-9(2-1-5-23)15(22(26)27)12(8-11)16(24)25/h3-4,6-8,23H,1-2,5H2,(H,24,25)/p-1