A1L0N
Summary
| Name: | 4-[2-hydroxyethyloxy(oxidanyl)phosphoryl]benzoic acid |
| Formula: | C9 H11 O6 P |
| Formal charge: | 0 |
| Formula weight: | 246.154 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-hydroxyethyloxy(oxidanyl)phosphoryl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11O6P/c10-5-6-15-16(13,14)8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | PTVSEGAIJIELFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCO[P](O)(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCO[P](O)(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)P(=O)(O)OCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)P(=O)(O)OCCO |
