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2,4',6,6'-Tetranitro-2',4-azoxytoluene
MNXM6674 is deprecated and here replaced by MNXM1370728
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1370728 |
 |
| reference | chebi:80487 |
| formula | C14H10N6O9 |
| global charge | 0 |
| mol weight | 406.267 |
| InChIKey | XDCFBFUDTDVION-NXVVXOECSA-N |
| InChI | InChI=1S/C14H10N6O9/c1-7-11(3-10(17(22)23)6-12(7)18(24)25)15-16(21)9-4-13(19(26)27)8(2)14(5-9)20(28)29/h3-6H,1-2H3/b16-15- |
| SMILES | CC1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1/N=[N+](\[O-])C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C14H10N6O9/c1-7-11(3-10(17(22)23)6-12(7)18(24)25)15-16(21)9-4-13(19(26)27)8(2)14(5-9)20(28)29/h3-6H,1-2H3/b16-15- |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[C:11](/[N:15]=[N+:16](/[C:9]2=[CH:4][C:13]([N+:19]([O-:26])=[O:27])=[C:8]([CH3:2])[C:14]([N+:20]([O-:28])=[O:29])=[CH:5]2)[O-:21])[CH:3]=[C:10]([N+:17]([O-:22])=[O:23])[CH:6]=[C:12]1[N+:18]([O-:24])=[O:25] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|