Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc2c(c(Cl)c1)c(c(C(=O)O)n2)CCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19) |
InChIKey | InChI | 1.03 | KNBSYZNKEAWABY-UHFFFAOYSA-N |