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

Systemtic Name: [5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-(2,2-dimethylpropanoyloxymethoxy)-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-(2,2-dimethylpropanoyloxymethoxy)-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-[(2,2-dimethyl-1-oxopropoxy)methoxy]-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-(2,2-dimethylpropanoyloxymethoxy)-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-keto-(pivaloyloxymethoxy)phosphonium Formula: C21H21ClF3NO7P+ MolecularWeight: 522.815911

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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)OCOC(=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)OCOC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClF3NO7P/c1-5-12-8-15(26(28)29)18(34(30)32-11-31-19(27)20(2,3)4)10-17(12)33-16-7-6-13(9-14(16)22)21(23,24)25/h6-10H,5,11H2,1-4H3/q+1