2PB
Summary
| Name: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE |
| Formula: | C7 H5 O5 P |
| Formal charge: | -2 |
| Formula weight: | 200.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(dioxidophosphanyl)oxy]benzoate |
| OpenEye OEToolkits | 1.5.0 | 2-oxidophosphonoyloxybenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P([O-])Oc1ccccc1C([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)c1ccccc1O[PH]([O-])=O |
| SMILES | CACTVS | 3.341 | [O-]C(=O)c1ccccc1O[PH]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)[O-])OP(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2 |
| InChIKey | InChI | 1.03 | BTPFLIXGJHTRNG-UHFFFAOYSA-L |
