Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2ccc1c(cccc12)C)CC3O |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2n(ccc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.341 | Cc1cccc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1ccn2C3CC(C(O3)COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1 |
InChIKey | InChI | 1.03 | UXXYPWCUINVUHL-BFHYXJOUSA-N |