7FZ
概要
| 表記: | (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol |
| 組成式: | C17 H18 O2 |
| 電荷: | 0 |
| 化学式量: | 254.324 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol |
| OpenEye OEToolkits | 2.0.6 | (1~{S})-5-(3,5-dimethyl-4-oxidanyl-phenyl)-2,3-dihydro-1~{H}-inden-1-ol |
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 | 12.01 | Oc1c(cc(cc1C)c3cc2CCC(c2cc3)O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H18O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3,5,7-9,16,18-19H,4,6H2,1-2H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | UCXWFKNKSWDWCD-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cc(C)c1O)c2ccc3[C@@H](O)CCc3c2 |
| SMILES | CACTVS | 3.385 | Cc1cc(cc(C)c1O)c2ccc3[CH](O)CCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1O)C)c2ccc3c(c2)CCC3O |
