| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccccc1CCC(=O)C(\C=C\C(=O)C([O-])=O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](\C=C\C(=O)C([O-])=O)C(=O)CCc1ccccc1Cl |
| SMILES | CACTVS | 3.352 | C[CH](C=CC(=O)C([O-])=O)C(=O)CCc1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C=CC(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H15ClO4/c1-10(6-8-14(18)15(19)20)13(17)9-7-11-4-2-3-5-12(11)16/h2-6,8,10H,7,9H2,1H3,(H,19,20)/p-1/b8-6+/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | OXPYJYFFTOKNRF-QEHWCHDUSA-M |
