Chem
J-GLOBAL ID：200907075896886967
Nikkaji number：J1.520.421D
5-(2,2,2-Trichloroethoxycarbonyl)-4-thia-5-azatricyclo[6.2.2.02,7]dodeca-2(7),9-diene 4-oxide
5-(2,2,2-トリクロロエトキシカルボニル)-4-チア-5-アザトリシクロ[6.2.2.02,7]ドデカ-2(7),9-ジエン4-オキシド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H14Cl3NO2[O-][S+]
Molecular formula furigana： C13-H14-CL3-N-O3-S
Molecular weight： 370.670
InChI：
InChI=1S/C13H14Cl3NO3S/c14-13(15,16)7-20-12(18)17-5-10-8-1-3-9(4-2-8)11(10)6-21(17)19/h1,3,8-9H,2,4-7H2
InChI key：
BZJZKDPBFYYFPX-UHFFFAOYSA-N
SMILES：
[O-][S+]1CC2=C(CN1C(=O)OCC(Cl)(Cl)Cl)C1CCC2C=C1
Systematic name (3)：
- 5-(2,2,2-トリクロロエトキシカルボニル)-4-チア-5-アザトリシクロ[6.2.2.02,7]ドデカ-2(7),9-ジエン4-オキシド
- 5-[(2,2,2-トリクロロエトキシ)カルボニル]-4-チア-5-アザトリシクロ[6.2.2.02,7]ドデカ-2(7),9-ジエン-4-イウム-4-オラート
- 5-[(2,2,2-trichloroethoxy)carbonyl]-4-thia-5-azatricyclo[6.2.2.02,7]dodeca-2(7),9-dien-4-ium-4-olate
- 5-(2,2,2-Trichloroethoxycarbonyl)-4-thia-5-azatricyclo[6.2.2.02,7]dodeca-2(7),9-diene 4-oxide
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