Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | OOLBCHYXZDXLDS-SECBINFHSA-N |