742
Summary
| Name: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM |
| Formula: | C16 H38 O6 P3 |
| Formal charge: | 1 |
| Formula weight: | 419.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium |
| OpenEye OEToolkits | 1.5.0 | 2,2-diphosphonoethyl-dodecyl-dimethyl-phosphanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(C[P+](CCCCCCCCCCCC)(C)C)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC[P+](C)(C)CC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCC[P+](C)(C)CC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1 |
| InChIKey | InChI | 1.03 | QCMHKGWUOSRYCF-UHFFFAOYSA-O |
