Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16) |
InChIKey | InChI | 1.03 | FCROUVVWZFPGFM-UHFFFAOYSA-N |