| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | UFAPVJDEYHLLBG-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(c(Cl)c1COC[C@@H]2CCCO2)C(=O)C3C(=O)CCCC3=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(c(Cl)c1COC[CH]2CCCO2)C(=O)C3C(=O)CCCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1COC[C@@H]2CCCO2)Cl)C(=O)C3C(=O)CCCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1COCC2CCCO2)Cl)C(=O)C3C(=O)CCCC3=O |
