Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(Cl)ccc(Cl)c1C(C)Oc1cc2c(cc1)ccc(/C=C/C(=O)O)c2C1CC1 |
InChI | InChI | 1.03 | InChI=1S/C24H19Cl2FO3/c1-13(22-19(25)9-10-20(26)24(22)27)30-17-8-6-14-2-3-16(7-11-21(28)29)23(15-4-5-15)18(14)12-17/h2-3,6-13,15H,4-5H2,1H3,(H,28,29)/b11-7+/t13-/m0/s1 |
InChIKey | InChI | 1.03 | JHFVJNXUDGWYLT-HJTPGIPUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccc2ccc(\C=C\C(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(Cl)c4F |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2ccc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(Cl)c4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)C=CC(=O)O |