PDB CCD ID: | TRT |
Number of entries in BioLiP: | 106 |
Chemical formula: | C21 H36 O4 |
InChI: | 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: | HEUDUECKTWTQQR-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC | CACTVS 3.341 | COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C | OpenEye OEToolkits 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC |
|
Name: | FRAGMENT OF TRITON X-100; 1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE |
DrugBank: | DB02080 |
ZINC: | ZINC000005885272 |