A1DD0
Summary
| Name: | (SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt |
| Formula: | C32 H46 Co N2 O2 |
| Formal charge: | null |
| Formula weight: | 549.653 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt(2+) |
| OpenEye OEToolkits | 3.1.0.0 | 4,6,17,19-tetra~{tert}-butyl-2,21-dioxa-10,13-diazonia-1$l^{4}-cobaltapentacyclo[11.8.0.0^{1,10}.0^{3,8}.0^{15,20}]henicosa-3(8),4,6,9,13,15(20),16,18-octaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;/h15-20,35-36H,13-14H2,1-12H3;/q;+4/p-2/b33-19+,34-20+; |
| InChIKey | InChI | 1.06 | XGNUNDFOVVDUHV-IBHFGPSZSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1cc2c(c(c1)C(C)(C)C)O[Co]34[N+](=C2)CC[N+]3=Cc5cc(cc(c5O4)C(C)(C)C)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1cc2c(c(c1)C(C)(C)C)O[Co]34[N+](=C2)CC[N+]3=Cc5cc(cc(c5O4)C(C)(C)C)C(C)(C)C |
