種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C |
InChI | InChI | 1.03 | InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1 |
InChIKey | InChI | 1.03 | JFCFPSBLBVUKMV-HHHXNRCGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C |
SMILES | CACTVS | 3.370 | CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F |