Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(=O)\C=C\c1c(cnc(c1O)C)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(/C=C/C(=O)C(O)=O)c1O |
SMILES | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=CC(=O)C(O)=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=O)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H12NO8P/c1-6-10(14)8(2-3-9(13)11(15)16)7(4-12-6)5-20-21(17,18)19/h2-4,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/b3-2+ |
InChIKey | InChI | 1.03 | FYMYHYJKCICXRI-NSCUHMNNSA-N |