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

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(4-oxidanylbut-2-ynyl)benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoate Formula: C18H10ClF3NO6- MolecularWeight: 428.72331

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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-])CC#CCO

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClF3NO6/c19-14-8-11(18(20,21)22)4-5-15(14)29-12-7-10(3-1-2-6-24)16(23(27)28)13(9-12)17(25)26/h4-5,7-9,24H,3,6H2,(H,25,26)/p-1