Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC1OC(C(O)C(O)C1O)C |
InChI | InChI | 1.03 | InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | YTZUDUWVQZSKNN-OASCRQMUSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1O[C@@H](CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | C[CH]1O[CH](CC(O)=O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(C(O1)CC(=O)O)O)O)O |