FEP
Summary
| Name: | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID |
| Formula: | C18 H20 F4 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 470.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {butane-1,4-diylbis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [[4-[4-[4-(difluoro-phosphono-methyl)phenyl]butyl]phenyl]-difluoro-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28) |
| InChIKey | InChI | 1.03 | SRHSAABKYJDBDV-UHFFFAOYSA-N |
