苯并[a]蒽,12-甲基-7-丙基-结构式

苯并[a]蒽,12-甲基-7-丙基-
中文名称:苯并[a]蒽,12-甲基-7-丙基-
英文名称:Benz[a]anthracene,12-methyl-7-propyl-
CAS No.:16354-54-4
分子式:C22H20 分子量:284.3942
苯并[a]蒽,12-甲基-7-丙基- 数据
Mol:
0  0  0  0  0  0  0  0  0
    6.7987    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7987    0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    7.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    7.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  2  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END                                
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苯并[a]蒽,12-甲基-7-丙基- Smile 编码:
CC1C2C(=CC=C3C=CC=CC3=2)C(CCC)=C2C=1C=CC=C2
苯并[a]蒽,12-甲基-7-丙基- InChi 编码:
InChI=1S/C22H20/c1-3-8-19-20-12-7-6-10-17(20)15(2)22-18-11-5-4-9-16(18)13-14-21(19)22/h4-7,9-14H,3,8H2,1-2H3
苯并[a]蒽,12-甲基-7-丙基- InChiKey 编码:
YQKGLNLJXKJWSN-UHFFFAOYSA-N