Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1F)C(F)\C=C\C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C12H8F2O4/c13-8-4-2-1-3-7(8)11(16)9(14)5-6-10(15)12(17)18/h1-6,9H,(H,17,18)/b6-5+/t9-/m1/s1 |
InChIKey | InChI | 1.03 | YTBJKOAMJGQNPQ-VUHVRTRXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)\C=C\[C@@H](F)C(=O)c1ccccc1F |
SMILES | CACTVS | 3.385 | OC(=O)C(=O)C=C[CH](F)C(=O)c1ccccc1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)C(C=CC(=O)C(=O)O)F)F |