IS2
Summary
| Name: | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID |
| Synonyms: | ISO24 |
| Formula: | C9 H12 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 229.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | (4-ethylphenyl)carbamoylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1ccc(NC(=O)[P](O)(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | CCc1ccc(NC(=O)[P](O)(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1ccc(cc1)NC(=O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1ccc(cc1)NC(=O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | KGNSYMGWPCEFDZ-UHFFFAOYSA-N |
