4-(4-methylpyrimidin-2-yl)sulfanyl-3,5-dinitro-benzoic acid

Molecular Formula: C12H8N4O6S


InChI: InChI=1/C12H8N4O6S/c1-6-2-3-13-12(14-6)23-10-8(15(19)20)4-7(11(17)18)5-9(10)16(21)22/h2-5H,1H3,(H,17,18)/f/h17H

InChIKey: InChIKey=MZLVRJIRVJLXOV-HCKMINDGCV
SMILES: CC1=NC(=NC=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Names:
    4-(4-methylpyrimidin-2-yl)sulfanyl-3,5-dinitro-benzoic acid

Registries:
    PubChem CID 4523954
    PubChem ID 10211496