Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate结构式

Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate
英文名称:Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate
CAS No.:88558-49-0
分子式:C7H11O2I.C2H5NO2 分子量:329.13164
Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate 数据
Mol:
 2.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END                                
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Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate Smile 编码:
CNC(=O)O.IC#CC(OCCO)(C)C
Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate InChi 编码:
InChI=1S/C7H11IO2.C2H5NO2/c1-7(2,3-4-8)10-6-5-9;1-3-2(4)5/h9H,5-6H2,1-2H3;3H,1H3,(H,4,5)
Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate InChiKey 编码:
YAQTYNRERORNJS-UHFFFAOYSA-N