Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCCC(CCCC(CCCC(C)CCCC(C)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO |
SMILES | CACTVS | 3.341 | CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCCC(C)CCCC(C)CCCC(C)CCO |
InChI | InChI | 1.03 | InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1 |
InChIKey | InChI | 1.03 | AJAKLDUGVSKVDG-UFYCRDLUSA-N |