4C8
概要
表記: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether |
組成式: | C12 H5 Br5 O |
電荷: | 0 |
化学式量: | 564.687 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 | 2,4-dibromophenyl 2,4,6-tribromophenyl ether |
OpenEye OEToolkits | 1.9.2 | 2-[2,4-bis(bromanyl)phenoxy]-1,3,5-tris(bromanyl)benzene |
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 | 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene |
InChI | InChI | 1.03 | InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H |
InChIKey | InChI | 1.03 | NSKIRYMHNFTRLR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1 |
SMILES | CACTVS | 3.385 | Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br |