NSC57948

Molecular Formula: C₁₉H₂₂N₄O₇S

InChI: InChI=1/C13H19NS.C6H3N3O7/c1-12-7-3-4-8-13(12)15-11-14-9-5-2-6-10-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-8H,2,5-6,9-11H2,1H3;1-2,10H

InChIKey: InChIKey=AXRQGICOFGGJER-UHFFFAOYAE
SMILES: CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Names:
    NSC57948
    1-[(2-methylphenyl)sulfanylmethyl]piperidine; 2,4,6-trinitrophenol
    6631-91-0

Registries:
    PubChem CID 245721
    PubChem ID 106797