| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc1c(c(C(C(C)C)C(O)=O)c(o1)C#Cc2sccc2)cc3C |
| InChI | InChI | 1.03 | InChI=1S/C20H18O3S/c1-12(2)18(20(21)22)19-15-11-13(3)6-8-16(15)23-17(19)9-7-14-5-4-10-24-14/h4-6,8,10-12,18H,1-3H3,(H,21,22)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | FTQGKZDOBXOFOX-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C(O)=O)c1c(oc2ccc(C)cc12)C#Cc3sccc3 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C(O)=O)c1c(oc2ccc(C)cc12)C#Cc3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)C(C(C)C)C(=O)O |
