NSC85597

Molecular Formula: C₁₆H₁₂N₂O₁₂S

InChI: InChI=1/C16H12N2O12S/c19-15(20)7-29-13-3-1-9(5-11(13)17(23)24)31(27,28)10-2-4-14(30-8-16(21)22)12(6-10)18(25)26/h1-6H,7-8H2,(H,19,20)(H,21,22)/f/h19,21H

InChIKey: InChIKey=SKTYKMNGWQLCHF-PXPUHDKACT
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)O

Names:
    NSC85597
    2-[4-[4-(carboxymethoxy)-3-nitro-phenyl]sulfonyl-2-nitro-phenoxy]acetic acid

Registries:
    PubChem CID 257515
    PubChem ID 122869