| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | HVFVCYLTDOVLAM-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(S[C@@H](CCCCSc2ccc(Cl)cc2)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(S[CH](CCCCSc2ccc(Cl)cc2)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)S[C@@H](CCCCSc2ccc(cc2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)SC(CCCCSc2ccc(cc2)Cl)C(=O)O |
