Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 |
InChI | InChI | 1.03 | InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | CIQHWLTYGMYQQR-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O |