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

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; trimethylsulfanium Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; trimethylsulfonium CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; trimethylsulfonium IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; trimethylsulfanium Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; trimethylsulfonium Formula: C17H15ClF3NO5S MolecularWeight: 437.81791

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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)[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)[O-]

InChI

InChI=1S/C14H7ClF3NO5.C3H9S/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;1-4(2)3/h1-6H,(H,20,21);1-3H3/q;+1/p-1