3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxypropanoate; trimethylsulfanium

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxypropanoate; trimethylsulfanium Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxypropanoate; trimethylsulfonium CAS Name: 3-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]propanoate; trimethylsulfonium IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxypropanoate; trimethylsulfanium Traditional Name: 3-[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:

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

InChI

InChI=1S/C17H11ClF3NO7.C3H9S/c18-12-7-9(17(19,20)21)1-4-14(12)29-10-2-3-13(22(26)27)11(8-10)16(25)28-6-5-15(23)24;1-4(2)3/h1-4,7-8H,5-6H2,(H,23,24);1-3H3/q;+1/p-1