4QT
概要
| 表記: | 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide |
| 組成式: | C6 H4 Br3 N O4 |
| 電荷: | 0 |
| 化学式量: | 393.812 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 | 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide |
| OpenEye OEToolkits | 1.9.2 | 2,4,6-tris(bromanyl)-3,5-bis(dioxidanyl)aniline |
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 | c1(c(c(c(c(c1Br)OO)Br)OO)Br)N |
| InChI | InChI | 1.03 | InChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2 |
| InChIKey | InChI | 1.03 | LZZXDGTUENOCKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(Br)c(OO)c(Br)c(OO)c1Br |
| SMILES | CACTVS | 3.385 | Nc1c(Br)c(OO)c(Br)c(OO)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1(c(c(c(c(c1Br)OO)Br)OO)Br)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1(c(c(c(c(c1Br)OO)Br)OO)Br)N |
