Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(=O)CC1OC(CO)C(O)C1O |
InChI | InChI | 1.03 | InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | HVHHMEMCULPBED-UVSCYPECSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O |