(2-benzothiophen-3-yl-2-hydroxy-ethyl)-dimethyl-azanium; 2,4,6-trinitrophenolate

Molecular Formula: C₁₈H₁₈N₄O₈S

InChI: InChI=1/C12H15NOS.C6H3N3O7/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8,11,14H,7H2,1-2H3;1-2,10H/fC12H16NOS.C6H2N3O7/h13H;10h/q+1;-1

InChIKey: InChIKey=CDBVCXKGDCGBCI-ACPCNZADCP
SMILES: C[NH+](C)CC(C1=CSC2=CC=CC=C21)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Names:
    (2-benzothiophen-3-yl-2-hydroxy-ethyl)-dimethyl-azanium; 2,4,6-trinitrophenolate

Registries:
    PubChem CID 24224
    PubChem ID 11557467