X5Z
Summary
| Name: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT |
| Formula: | C15 H23 Co N8 O4 |
| Formal charge: | 1 |
| Formula weight: | 438.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | azidobis[N~2~,N~3~-dihydroxybut-2-ene-2,3-diaminato(2-)-kappa~2~N,N'](4-ethenylpyridine)cobalt(1+) |
| OpenEye OEToolkits | 2.0.7 | 5-azido-5-(4-ethenylpyridin-1-ium-1-yl)-2,3,7,8-tetramethyl-1,4,6,9-tetrakis(oxidanyl)-1,4,6,9-tetraza-5$l^{6}-cobaltaspiro[4.4]nona-2,7-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=Cc1cc[n+](cc1)[Co]12(\N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O |
| InChI | InChI | 1.06 | InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;2*1-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;2*7-8H,1-2H3;;/q;2*-2;+6;-1/b;2*4-3-;; |
| InChIKey | InChI | 1.06 | KKXSWROVWVQWSY-GLPMUSQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3 |
| SMILES | CACTVS | 3.385 | CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C |
