Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O |
InChI | InChI | 1.03 | InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) |
InChIKey | InChI | 1.03 | MQOBSOSZFYZQOK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl |