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

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(4-oxidanylbut-2-ynyl)benzoic acid Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoic acid CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoic acid IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoic acid Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoic acid Formula: C18H11ClF3NO6 MolecularWeight: 429.73125

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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)