dimethyl-[3-[2-oxo-5-(trifluoromethyl)benzooxazol-3-yl]propyl]azanium; 2,4,6-trinitrophenolate
Molecular Formula:
C
19
H
18
F
3
N
5
O
9
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