6M4
Summary
| Name: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium |
| Formula: | C7 H8 B O3 |
| Formal charge: | -1 |
| Formula weight: | 150.948 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium |
| OpenEye OEToolkits | 2.0.7 | 7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c2c(ccc1)[B+](OC2)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1 |
| InChIKey | InChI | 1.03 | LFYLOXDIRWAWMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B-]1(O)OCc2ccccc12 |
| SMILES | CACTVS | 3.385 | O[B-]1(O)OCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccccc2CO1)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccccc2CO1)(O)O |
