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

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(5-oxidanylpentyl)benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(5-hydroxypentyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(5-hydroxypentyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(5-hydroxypentyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(5-hydroxypentyl)-2-nitro-benzoate Formula: C19H16ClF3NO6- MolecularWeight: 446.78165

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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-])CCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3NO6/c20-15-9-12(19(21,22)23)5-6-16(15)30-13-8-11(4-2-1-3-7-25)17(24(28)29)14(10-13)18(26)27/h5-6,8-10,25H,1-4,7H2,(H,26,27)/p-1