IGB
概要
表記: | (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid |
別名: | 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid |
組成式: | C6 H F11 O3 |
電荷: | 0 |
化学式量: | 330.053 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)/t2-/m0/s1 |
InChIKey | InChI | 1.06 | CSEBNABAWMZWIF-REOHCLBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F |
SMILES | CACTVS | 3.385 | OC(=O)[C](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=O)([C@@](C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O |