Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 |
InChI | InChI | 1.03 | InChI=1S/C19H17NO8S2/c21-16-7-5-14(9-18(16)23)29(25,26)13-3-1-12(2-4-13)11-20-30(27,28)15-6-8-17(22)19(24)10-15/h1-10,20-24H,11H2 |
InChIKey | InChI | 1.03 | ZBQJJGXTFOWIRF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O |