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Benzenesulfonic acid,2,4,6-trinitro-, ion(1-) | 16655-63-3
Benzenesulfonic acid,2,4,6-trinitro-, ion(1-) | 16655-63-3
Benzenesulfonic acid,2,4,6-trinitro-, ion(1-)
16655-63-3
C6H2N3O9S-
292.15978
名称和标识符
InChIKey |
NHJVRSWLHSJWIN-UHFFFAOYSA-M |
Inchi |
InChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)/p-1 |
SMILES |
O=[N+](C1C=C([N+]([O-])=O)C(S([O-])(=O)=O)=C([N+]([O-])=O)C=1)[O-] |
别名信息
- 英文别名 -
- Benzenesulfonic acid,2,4,6-trinitro-, ion(1-)
- 2,4,6-trinitrobenzeno-1-sulfonate
- 2,4,6-Trinitrobenzene-1-sulfonate
- 2,4,6-trinitrobenzene sulphonate
- 16655-63-3
- NHJVRSWLHSJWIN-UHFFFAOYSA-M
- DTXSID30937214
- SCHEMBL1116001
- Benzenesulfonic acid, 2,4,6-trinitro-, ion(1-)
- 2,4,6-Trinitrobenzenesulfonic acid ion(1-)
- 2,4,6-Trinitrobenzene Sulfonate
物化性质
实验特性
PSA |
186.62 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
计算特性
精确分子量 |
291.95116 |
氢键供体数量 |
0 |
氢键受体数量 |
9 |
可旋转化学键数量 |
0 |
同位素质量 |
291.951174 |
重原子数量 |
19 |
复杂度 |
457 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
_0.6 |
拓扑分子极性表面积 |
203 |
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