methyl-(1,8,8-trimethyl-2-oxo-4-bicyclo[3.2.1]oct-3-enyl)azanium; 2,4,6-trinitrophenolate
Molecular Formula:
C
18
H
22
N
4
O
8
InChI:
InChI=1/C12H19NO.C6H3N3O7/c1-11(2)8-5-6-12(11,3)10(14)7-9(8)13-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,13H,5-6H2,1-4H3;1-2,10H/fC12H20NO.C6H2N3O7/h13H;10h/q+1;-1
InChIKey:
InChIKey=REQQVRVIDFRVDN-JBZHSIFKCQ
SMILES:
CC1(C2CCC1(C(=O)C=C2[NH2+]C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Names:
methyl-(1,8,8-trimethyl-2-oxo-4-bicyclo[3.2.1]oct-3-enyl)azanium; 2,4,6-trinitrophenolate
Registries:
PubChem CID 2750857
PubChem ID 11564026
