S1K
Summary
| Name: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid |
| Synonyms: | 2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid |
| Formula: | C16 H15 B O5 |
| Formal charge: | 0 |
| Formula weight: | 298.098 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{S})-1-oxidanyl-5-phenylmethoxy-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15BO5/c18-16(19)9-15-13-8-12(6-7-14(13)17(20)22-15)21-10-11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,18,19)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | HVZSXJPAWAMXTG-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@@H](CC(O)=O)c2cc(OCc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccc(cc2C(O1)CC(=O)O)OCc3ccccc3)O |
