Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12 |
SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1 |
InChIKey | InChI | 1.03 | NQEQTYPJSIEPHW-MNOVXSKESA-N |