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

Systemtic Name: [5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-methylsulfanyl-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-methylsulfanyl-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-(methylthio)-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-methylsulfanyl-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-keto-(methylthio)phosphonium Formula: C16H13ClF3NO4PS+ MolecularWeight: 438.765691

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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)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3NO4PS/c1-3-9-6-12(21(22)23)15(26(24)27-2)8-14(9)25-13-5-4-10(7-11(13)17)16(18,19)20/h4-8H,3H2,1-2H3/q+1