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

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxypropanoate; trimethylsulfanium Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxypropanoate; trimethylsulfonium CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]propanoate; trimethylsulfonium IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxypropanoate; trimethylsulfanium Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxypropionate; trimethylsulfonium Formula: C20H19ClF3NO7S MolecularWeight: 509.88057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3NO7.C3H9S/c1-8(15(23)24)28-16(25)11-7-10(3-4-13(11)22(26)27)29-14-5-2-9(6-12(14)18)17(19,20)21;1-4(2)3/h2-8H,1H3,(H,23,24);1-3H3/q;+1/p-1