0KG
Summary
| Name: | {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid |
| Formula: | C14 H20 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 313.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [2-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCCCC1)COc2ccccc2P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H20NO5P/c16-14(15-11-6-2-1-3-7-11)10-20-12-8-4-5-9-13(12)21(17,18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)(H2,17,18,19) |
| InChIKey | InChI | 1.03 | BDUNSMHXJWSVKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCCC2 |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O |
