PSN
Summary
| Name: | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE |
| Synonyms: | PASBN |
| Formula: | C14 H13 O5 P |
| Formal charge: | 0 |
| Formula weight: | 292.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzyl 2-formylphenyl hydrogen (R)-phosphate |
| OpenEye OEToolkits | 1.5.0 | (2-methanoylphenyl) phenylmethyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCc1ccccc1)(Oc2ccccc2C=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P@](=O)(OCc1ccccc1)Oc2ccccc2C=O |
| SMILES | CACTVS | 3.341 | O[P](=O)(OCc1ccccc1)Oc2ccccc2C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COP(=O)(O)Oc2ccccc2C=O |
| InChI | InChI | 1.03 | InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17) |
| InChIKey | InChI | 1.03 | PWDTUFYQEUEVQD-UHFFFAOYSA-N |
