LMC
概要
| 表記: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal |
| 別名: | (2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal |
| 組成式: | C18 H21 N O |
| 電荷: | 0 |
| 化学式量: | 267.365 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal |
| OpenEye OEToolkits | 1.5.0 | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienal |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O |
| SMILES | CACTVS | 3.341 | CN1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+ |
| InChIKey | InChI | 1.03 | UGINWNVBXWWHCS-RZZAMGAFSA-N |
