Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(OCC(=O)N(O)C)c1ccc(OC)cc1 |
InChI | InChI | 1.03 | InChI=1S/C11H16NO7P/c1-12(14)10(13)7-19-11(20(15,16)17)8-3-5-9(18-2)6-4-8/h3-6,11,14H,7H2,1-2H3,(H2,15,16,17)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | LUULKKFHGAQKEF-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[C@H](OCC(=O)N(C)O)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)[CH](OCC(=O)N(C)O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(=O)COC(c1ccc(cc1)OC)P(=O)(O)O)O |