| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H14O5S/c18-5-1-2-14-3-4-15(23-14)13-7-11(9-16(19)20)6-12(8-13)10-17(21)22/h3-4,6-8,18H,5,9-10H2,(H,19,20)(H,21,22) |
| InChIKey | InChI | 1.03 | GUHLJLFVRKYNRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2 |
| SMILES | CACTVS | 3.385 | OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O |
