ZMD
Summary
| Name: | (3S)-2,1-benzoxaborole-1,3(3H)-diol |
| Formula: | C7 H7 B O3 |
| Formal charge: | 0 |
| Formula weight: | 149.94 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-2,1-benzoxaborole-1,3(3H)-diol |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB1OC(O)c2ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | GKXMUTRKNBAUGN-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@H](O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OB1O[CH](O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@H](O1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)O)O |
