2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]ethanoate; trimethylsulfanium

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]ethanoate; trimethylsulfanium Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]acetate; trimethylsulfonium CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]acetate; trimethylsulfonium IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]acetate; trimethylsulfanium Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]acetate; trimethylsulfonium Formula: C18H17ClF3NO6S MolecularWeight: 467.84389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClF3NO6.C3H9S/c16-10-5-8(15(17,18)19)1-4-12(10)26-9-2-3-11(20(23)24)13(6-9)25-7-14(21)22;1-4(2)3/h1-6H,7H2,(H,21,22);1-3H3/q;+1/p-1