4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 4-[4-nitro-5-(phosphonomethylamino)-2-(trifluoromethyl)phenoxy]benzoic acid Formula: C15H12F3N2O8P MolecularWeight: 436.233351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

InChI

InChI=1S/C15H12F3N2O8P/c16-15(17,18)10-5-12(20(23)24)11(19-7-29(25,26)27)6-13(10)28-9-3-1-8(2-4-9)14(21)22/h1-6,19H,7H2,(H,21,22)(H2,25,26,27)