2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-ethoxy]ethanethioic S-acid

Systemtic Name: 2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-ethoxy]ethanethioic S-acid Openeye Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxo-ethoxy]ethanethioic S-acid CAS Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]ethanethioic S-acid IUPAC Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]ethanethioic S-acid Traditional Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-keto-ethoxy]thioacetic acid Formula: C17H11ClF3NO6S MolecularWeight: 449.78555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3NO6S/c18-12-5-9(17(19,20)21)1-4-15(12)28-10-2-3-13(22(25)26)11(6-10)14(23)7-27-8-16(24)29/h1-6H,7-8H2,(H,24,29)