[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-(2,2-dimethylpropanoylsulfanylmethoxy)-oxidanylidene-phosphanium

Systemtic Name: [5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-(2,2-dimethylpropanoylsulfanylmethoxy)-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-(2,2-dimethylpropanoylsulfanylmethoxy)-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-[[(2,2-dimethyl-1-oxopropyl)thio]methoxy]-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-(2,2-dimethylpropanoylsulfanylmethoxy)-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-keto-[(pivaloylthio)methoxy]phosphonium Formula: C21H21ClF3NO6PS+ MolecularWeight: 538.881511

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)[P+](=O)OCSC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)[P+](=O)OCSC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClF3NO6PS/c1-5-12-8-15(26(28)29)18(33(30)31-11-34-19(27)20(2,3)4)10-17(12)32-16-7-6-13(9-14(16)22)21(23,24)25/h6-10H,5,11H2,1-4H3/q+1