CVX
Summary
| Name: | O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP |
| Formula: | C5 H13 O3 P |
| Formal charge: | 0 |
| Formula weight: | 152.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | butyl hydrogen (R)-methylphosphonate |
| OpenEye OEToolkits | 1.6.1 | butoxy-methyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCCCC)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCO[P](C)(O)=O |
| SMILES | CACTVS | 3.352 | CCCCO[P](C)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCCCO[P@@](=O)(C)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCCOP(=O)(C)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7) |
| InChIKey | InChI | 1.03 | GZUFHXSFPZCNJA-UHFFFAOYSA-N |
