dimethyl-[3-[2-oxo-5-(trifluoromethyl)benzooxazol-3-yl]propyl]azanium; 2,4,6-trinitrophenolate

Molecular Formula: C19H18F3N5O9


InChI: InChI=1/C13H15F3N2O2.C6H3N3O7/c1-17(2)6-3-7-18-10-8-9(13(14,15)16)4-5-11(10)20-12(18)19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8H,3,6-7H2,1-2H3;1-2,10H/fC13H16F3N2O2.C6H2N3O7/h17H;10h/q+1;-1

InChIKey: InChIKey=SUOQRZHJGDUTDK-XSGSZZTKCK
SMILES: C[NH+](C)CCCN1C2=C(C=CC(=C2)C(F)(F)F)OC1=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Names:
    dimethyl-[3-[2-oxo-5-(trifluoromethyl)benzooxazol-3-yl]propyl]azanium; 2,4,6-trinitrophenolate

Registries:
    PubChem CID 29585
    PubChem ID 11564149