1,3-Benzodioxole, 4-(octyloxy)-结构式

1,3-Benzodioxole, 4-(octyloxy)-
英文名称:1,3-Benzodioxole, 4-(octyloxy)-
CAS No.:761455-54-3
分子式:C15H22O3 分子量:250.333
1,3-Benzodioxole, 4-(octyloxy)- 数据
Mol:
 0  0  0  0  0  0  0  0
    9.5176    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8317    0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306    1.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    2.4860    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 18 10  2  0  0  0  0
M  END                                
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1,3-Benzodioxole, 4-(octyloxy)- Smile 编码:
C(OC1=C2C(OCO2)=CC=C1)CCCCCCC