| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CSc2cc(C#CCCO)ccc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1 |
| SMILES | CACTVS | 3.370 | OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H14Cl2O3S/c19-15-7-5-13(9-16(15)20)11-24-17-10-12(3-1-2-8-21)4-6-14(17)18(22)23/h4-7,9-10,21H,2,8,11H2,(H,22,23) |
| InChIKey | InChI | 1.03 | LYKDQGOGGHKHLP-UHFFFAOYSA-N |
