Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1(OC2C(O1)C=C(C(=O)O)OC2)C |
InChI | InChI | 1.03 | InChI=1S/C9H10O7/c1-9(8(12)13)15-4-2-5(7(10)11)14-3-6(4)16-9/h2,4,6H,3H2,1H3,(H,10,11)(H,12,13)/t4-,6-,9+/m0/s1 |
InChIKey | InChI | 1.03 | ILHRGDJLAZPQBR-QKVARQBESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[C]1(O[CH]2COC(=C[CH]2O1)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(OC2COC(=CC2O1)C(=O)O)C(=O)O |