LJ1
概要
| 表記: | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
| 別名: | 3,5-Dimethyl-4-hydroxystilbene |
| 組成式: | C16 H16 O |
| 電荷: | 0 |
| 化学式量: | 224.298 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 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
| OpenEye OEToolkits | 1.5.0 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
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 | Oc2c(cc(\C=C\c1ccccc1)cc2C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(\C=C\c2ccccc2)cc(C)c1O |
| SMILES | CACTVS | 3.341 | Cc1cc(C=Cc2ccccc2)cc(C)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)\C=C\c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)C=Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+ |
| InChIKey | InChI | 1.03 | PAHKYLUYTGBFNW-CMDGGOBGSA-N |
