種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C)C |
InChI | InChI | 1.02b | InChI=1/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+ |
InChIKey | InChI | 1.02b | HSOYJGBJQAKCNA-CAIKYXSQBI |
SMILES_CANONICAL | CACTVS | 3.341 | C/C=C(C)/CC/C=C(C)/CC\C=C(/C)CCC=C(C)C |
SMILES | CACTVS | 3.341 | CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |