Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OP(OP(=O)(O)OCC([C+](C)CO)O)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C5H12O9P2/c1-4(2-6)5(7)3-13-16(11,12)14-15(8,9)10/h5-7H,2-3H2,1H3,(H2-,8,9,10,11,12)/p+1/t5-/m1/s1 |
InChIKey | InChI | 1.03 | NBNBDNPPGPBHHB-RXMQYKEDSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[C+](CO)[C@H](O)CO[P](O)(=O)O[P](O)(O)=O |
SMILES | CACTVS | 3.385 | C[C+](CO)[CH](O)CO[P](O)(=O)O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C[C+](CO)C(COP(=O)(O)OP(=O)(O)O)O |