RXR
概要
| 表記: | [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical |
| 別名: | 3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical |
| 組成式: | C10 H18 N O S2 |
| 電荷: | 0 |
| 化学式量: | 232.386 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 | 2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol |
| OpenEye OEToolkits | 1.7.0 | [1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(sulfanylmethyl)pyrrol-3-yl]methanethiol |
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 | ON1C(C(=C(CS)C1(C)C)CS)(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)N([O])C(C)(C)C(=C1CS)CS |
| SMILES | CACTVS | 3.370 | CC1(C)N([O])C(C)(C)C(=C1CS)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1(C(=C(C(N1[O])(C)C)CS)CS)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1(C(=C(C(N1[O])(C)C)CS)CS)C |
| InChI | InChI | 1.03 | InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3 |
| InChIKey | InChI | 1.03 | PZEXYXPQVHSRCF-UHFFFAOYSA-N |
