種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(OC)\C=C(\CC/C=C(/CCC1OC1(C)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H]1OC1(C)C |
SMILES | CACTVS | 3.341 | COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C |
InChI | InChI | 1.03 | InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1 |
InChIKey | InChI | 1.03 | QVJMXSGZTCGLHZ-HONBPKQLSA-N |