Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)/C=C/C(O)C(O)C(O)CCO |
SMILES_CANONICAL | CACTVS | 3.341 | OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OCC[CH](O)[CH](O)[CH](O)C=C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CO)C(C(C(C=CP(=O)(O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1 |
InChIKey | InChI | 1.03 | CZQSGBWQBMZTMQ-AEVYZNAZSA-N |