A1IB7
Summary
| Name: | [2-[(1~{S})-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]phenyl]-bis(oxidanyl)-$l^{4}-borane |
| Formula: | C9 H12 B O5 |
| Formal charge: | 0 |
| Formula weight: | 211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[(1~{S})-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]phenyl]-bis(oxidanyl)-$l^{4}-borane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12BO5/c11-8(5-9(12)13)6-3-1-2-4-7(6)10(14)15/h1-4,8,10-11,14-15H,5H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | SFCLHBAJFJGXHL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[BH](O)c1ccccc1[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.385 | O[BH](O)c1ccccc1[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [BH](c1ccccc1[C@H](CC(=O)O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [BH](c1ccccc1C(CC(=O)O)O)(O)O |
