Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19) |
InChIKey | InChI | 1.03 | NKGNOWNPXBURRW-UHFFFAOYSA-N |