| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | RLCKHJSFHOZMDR-GBESFXJTSA-N |
