Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)C(O)C(=C/C([O-])=O)\C(=O)[O-] |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](C([O-])=O)\C(=C/C([O-])=O)C([O-])=O |
SMILES | CACTVS | 3.341 | O[CH](C([O-])=O)C(=CC([O-])=O)C([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | C(=C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1 |
InChIKey | InChI | 1.03 | WUUVSJBKHXDKBS-ROFOPDMZSA-K |