PK8
Summary
| Name: | 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene |
| Formula: | C5 H4 N O S Zn |
| Formal charge: | 1 |
| Formula weight: | 191.565 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+2/p-1 |
| InChIKey | InChI | 1.03 | PURMLSMXFJKREH-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O1[Zn]Sc2cccc[n+]12 |
| SMILES | CACTVS | 3.385 | O1[Zn]Sc2cccc[n+]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc[n+]2c(c1)S[Zn]O2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc[n+]2c(c1)S[Zn]O2 |
