sodium 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxy-1-oxidanyl-ethenolate

Systemtic Name: sodium 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxy-1-oxidanyl-ethenolate Openeye Name: sodium 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxy-1-hydroxy-ethenolate CAS Name: sodium 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]-1-hydroxyethenolate IUPAC Name: sodium 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxy-1-hydroxyethenolate Traditional Name: sodium 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxy-1-hydroxy-ethenolate Formula: C16H8ClF3NNaO7 MolecularWeight: 441.6752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3NO7.Na/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23;/h1-7,22-23H;/q;+1/p-1