phosphonatomethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanoate

Systemtic Name: phosphonatomethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanoate Openeye Name: phosphonatomethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoic acid phosphonatomethyl ester IUPAC Name: phosphonatomethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propionic acid phosphonatomethyl ester Formula: C17H12ClF3NO9P-2 MolecularWeight: 497.700451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCP(=O)([O-])[O-])OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCP(=O)([O-])[O-])OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClF3NO9P/c1-9(16(23)29-8-32(26,27)28)30-15-7-11(3-4-13(15)22(24)25)31-14-5-2-10(6-12(14)18)17(19,20)21/h2-7,9H,8H2,1H3,(H2,26,27,28)/p-2