QDO
Summary
| Name: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide |
| Synonyms: | conoidin A |
| Formula: | C10 H8 Br2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 347.991 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide |
| OpenEye OEToolkits | 1.7.6 | 2,3-bis(bromomethyl)-1,4-bis(oxidanidyl)quinoxaline-1,4-diium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr |
| InChI | InChI | 1.03 | InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2 |
| InChIKey | InChI | 1.03 | DQKNFTLRMZOAMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12 |
| SMILES | CACTVS | 3.370 | [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-] |
