| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(C2Cc3occ(c3CC2)C(=O)O)c(OC)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClO4/c1-20-14-7-10(17)3-5-11(14)9-2-4-12-13(16(18)19)8-21-15(12)6-9/h3,5,7-9H,2,4,6H2,1H3,(H,18,19)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | TWCCLWVYFQJEIX-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cl)ccc1[C@@H]2CCc3c(C2)occ3C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(Cl)ccc1[CH]2CCc3c(C2)occ3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1[C@@H]2CCc3c(coc3C2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1C2CCc3c(coc3C2)C(=O)O)Cl |
