Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC(P(=O)(O)O)P(=O)(O)O)c2ccc(c1ccccc1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20) |
InChIKey | InChI | 1.03 | SZOCMHFDKYEXMY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O |
SMILES | CACTVS | 3.385 | O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O |