HCH
Summary
| Name: | (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide |
| Formula: | C9 H8 B O5 S |
| Formal charge: | -1 |
| Formula weight: | 239.033 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8BO5S/c11-9(12)6-3-1-2-5-4-7(10(13,14)15)16-8(5)6/h1-4,13-15H,(H,11,12)/q-1 |
| InChIKey | InChI | 1.03 | RPQQLQILJXVZRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2cc(sc12)[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2cc(sc12)[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O |
