Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C([O-])C(O)CC(O)C(O)C([O-])=O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](C[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O |
SMILES | CACTVS | 3.341 | O[CH](C[CH](O)C([O-])=O)[CH](O)C([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(=O)[O-])O)O)C(C(=O)[O-])O |
InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,3-,4+/m0/s1 |
InChIKey | InChI | 1.03 | WZLURCXZSPTANB-YVZJFKFKSA-L |