DCO
Summary
| Name: | 3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYLIC ACID |
| Formula: | C4 H5 Cl2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 234.959 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C(=C(/Cl)Cl)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(C[P](O)(O)=O)=C(Cl)Cl |
| SMILES | CACTVS | 3.341 | OC(=O)C(C[P](O)(O)=O)=C(Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H5Cl2O5P/c5-3(6)2(4(7)8)1-12(9,10)11/h1H2,(H,7,8)(H2,9,10,11) |
| InChIKey | InChI | 1.03 | IBGSKYLUHGAGLB-UHFFFAOYSA-N |
