6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenolate
Molecular Formula:
C
16
H
16
N
4
O
9
InChI:
InChI=1/C10H13NO2.C6H3N3O7/c1-13-10-5-7-2-3-11-6-8(7)4-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,11-12H,2-3,6H2,1H3;1-2,10H/fC10H14NO2.C6H2N3O7/h11H;10h/q+1;-1
InChIKey:
InChIKey=JFIQFAOBQIYAAK-LKFSZZLYCK
SMILES:
COC1=C(C=C2C[NH2+]CCC2=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Names:
6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenolate
Registries:
PubChem CID 2752193
PubChem ID 11564030
