Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC |
SMILES_CANONICAL | CACTVS | 3.341 | COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C |
SMILES | CACTVS | 3.341 | COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC |
InChI | InChI | 1.03 | InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3 |
InChIKey | InChI | 1.03 | HEUDUECKTWTQQR-UHFFFAOYSA-N |