3-[2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl]carbonyloxypropanoate; trimethylsulfanium

Systemtic Name: 3-[2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl]carbonyloxypropanoate; trimethylsulfanium Openeye Name: 3-[2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoyl]oxypropanoate; trimethylsulfonium CAS Name: 3-[[2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl]-oxomethoxy]propanoate; trimethylsulfonium IUPAC Name: 3-[2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoyl]oxypropanoate; trimethylsulfanium Traditional Name: 3-[2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoyl]oxypropionate; trimethylsulfonium Formula: C20H19ClF3NO7S MolecularWeight: 509.88057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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