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

Systemtic Name: 2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-ethoxy]propanethioic S-acid Openeye Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxo-ethoxy]propanethioic S-acid CAS Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]propanethioic S-acid IUPAC Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]propanethioic S-acid Traditional Name: 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-keto-ethoxy]thiopropionic acid Formula: C18H13ClF3NO6S MolecularWeight: 463.81213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO6S/c1-9(17(25)30)28-8-15(24)12-7-11(3-4-14(12)23(26)27)29-16-5-2-10(6-13(16)19)18(20,21)22/h2-7,9H,8H2,1H3,(H,25,30)