Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1(O)CC(O)C(O)C(O)C1O |
InChI | InChI | 1.03 | InChI=1S/C7H12O7/c8-2-1-7(14,6(12)13)5(11)4(10)3(2)9/h2-5,8-11,14H,1H2,(H,12,13)/t2-,3+,4-,5+,7-/m1/s1 |
InChIKey | InChI | 1.03 | OLBQNCISLUABGO-LNHNIDQWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@@](O)([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
SMILES | CACTVS | 3.385 | O[CH]1C[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(C1(C(=O)O)O)O)O)O)O |