ERF
Summary
| Name: | phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid |
| Formula: | C7 H9 B N3 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 289.013 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | CSAHOMHDQOWLFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O |
