種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)C(C)(CCOc1ccc(Cl)c(F)c1)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C17H14Cl3FO3/c1-17(16(22)23,10-2-4-12(18)14(20)8-10)6-7-24-11-3-5-13(19)15(21)9-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)/t17-/m0/s1 |
InChIKey | InChI | 1.06 | XLWZOGIPIGJOQQ-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@](CCOc1ccc(Cl)c(F)c1)(C(O)=O)c2ccc(Cl)c(Cl)c2 |
SMILES | CACTVS | 3.385 | C[C](CCOc1ccc(Cl)c(F)c1)(C(O)=O)c2ccc(Cl)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](CCOc1ccc(c(c1)F)Cl)(c2ccc(c(c2)Cl)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCOc1ccc(c(c1)F)Cl)(c2ccc(c(c2)Cl)Cl)C(=O)O |