Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(cc2O)C(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(cc2O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18) |
InChIKey | InChI | 1.03 | RDPXXOOKKRIKFN-UHFFFAOYSA-N |