Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17) |
InChIKey | InChI | 1.03 | FKTVHRZETGCILU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O |
SMILES | CACTVS | 3.385 | OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O |