A1LZ4
Summary
| Name: | 2-[[(3~{R})-6-chloranyl-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]prop-2-enoic acid |
| Formula: | C11 H11 B Cl O5 |
| Formal charge: | 1 |
| Formula weight: | 269.466 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(3~{R})-6-chloranyl-1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-3-yl]methyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11BClO5/c1-6(11(14)15)4-10-8-3-2-7(13)5-9(8)12(16,17)18-10/h2-3,5,10,16-17H,1,4H2,(H,14,15)/q+1/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | SGRBFLNXBYZQFQ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=C)C[C@H]1O[B+](O)(O)c2cc(Cl)ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C(=C)C[CH]1O[B+](O)(O)c2cc(Cl)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B+]1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)Cl)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B+]1(c2cc(ccc2C(O1)CC(=C)C(=O)O)Cl)(O)O |
