Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(OCC3OC(c2cc1ccccc1cc2OC)CC3O)O |
InChI | InChI | 1.03 | InChI=1S/C16H19O7P/c1-21-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(23-15)9-22-24(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H2,18,19,20)/t13-,15+,16+/m0/s1 |
InChIKey | InChI | 1.03 | CYEAIBNOGXXKTF-NUEKZKHPSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.370 | COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O |