NHP
Summary
| Name: | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID |
| Formula: | C10 H16 N O3 P S |
| Formal charge: | 0 |
| Formula weight: | 261.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {4-[(2-aminophenyl)sulfanyl]butyl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-aminophenyl)sulfanylbutylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CCCCSc1ccccc1N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccccc1SCCCC[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | Nc1ccccc1SCCCC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)SCCCCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)SCCCCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | POZPBCXLYRZUTO-UHFFFAOYSA-N |
