Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1 |
InChIKey | InChI | 1.06 | KFPPYXMTKZSOKI-VGRIIWOTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O |
SMILES | CACTVS | 3.385 | COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC |