Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | FIPYOKGRSDJCAR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(O)=O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O |