| Properties | Image |
MNX_ID | MNXM44372 |
 |
reference | chebi:34574 |
formula | C20H28Cl2N8 |
global charge | 0 |
mol weight | 451.406 |
InChIKey | KVRMFYJZXMVCOK-UHFFFAOYSA-L |
InChI | InChI=1S/C20H28N8.2ClH/c21-25-23-19-11-9-15-27(17-19)13-7-5-3-1-2-4-6-8-14-28-16-10-12-20(18-28)24-26-22;;/h9-12,15-18H,1-8,13-14H2;2*1H/q+2;;/p-2 |
SMILES | [Cl-].[Cl-].[N-]=[N+]=NC1=C[N+](CCCCCCCCCC[N+]2=CC=CC(N=[N+]=[N-])=C2)=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H28N8.2ClH/c21-25-23-19-11-9-15-27(17-19)13-7-5-3-1-2-4-6-8-14-28-16-10-12-20(18-28)24-26-22;;/h9-12,15-18H,1-8,13-14H2;2*1H/q+2;;/b23-19?,24-20?;; |
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SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:14][N+:28]1=[CH:18][C:20](=[N:24][N+:26]#[N:22])[CH:12]=[CH:10][CH-:16]1)[CH2:3][CH2:5][CH2:7][CH2:13][N+:27]1=[CH:17][C:19](=[N:23][N+:25]#[N:21])[CH:11]=[CH:9][CH-:15]1.[ClH:29].[ClH:30] |
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