Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC |
InChI | InChI | 1.06 | InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1 |
InChIKey | InChI | 1.06 | XPLTVISHLDPSGW-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C |
SMILES | CACTVS | 3.385 | CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCC#C)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOP(=O)(CCCCCCCCCCOC(=O)NCCC#C)F |