2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxyethanoate; triethylsulfanium

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxyethanoate; triethylsulfanium Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxyacetate; triethylsulfonium CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]acetate; triethylsulfonium IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetate; triethylsulfanium Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxyacetate; triethylsulfonium Formula: C22H23ClF3NO7S MolecularWeight: 537.93373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3NO7.C6H15S/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;1-4-7(5-2)6-3/h1-6H,7H2,(H,22,23);4-6H2,1-3H3/q;+1/p-1