Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C |
InChI | InChI | 1.03 | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | KPSRODZRAIWAKH-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)[CH]2CC2(Cl)Cl)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)O)Oc1ccc(cc1)C2CC2(Cl)Cl |