2,5-Bis(phenylethynyl)benzene-1,4-diol结构式

2,5-Bis(phenylethynyl)benzene-1,4-diol
英文名称:2,5-Bis(phenylethynyl)benzene-1,4-diol
CAS No.:956315-04-1
分子式:C22H14O2 分子量:310.345366001129
2,5-Bis(phenylethynyl)benzene-1,4-diol 数据
Mol:
0  0
    3.4030   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  6  1  0
  3  5  2  0
  3  7  1  0
  3 11  1  0
  4  6  1  0
  4  8  2  0
  4 12  1  0
  5  8  1  0
  6  7  2  0
  9 13  2  0
  9 14  1  0
  9 21  1  0
 10 15  2  0
 10 16  1  0
 10 22  1  0
 11 21  3  0
 12 22  3  0
 13 17  1  0
 14 18  2  0
 15 19  1  0
 16 20  2  0
 17 23  2  0
 18 23  1  0
 19 24  2  0
 20 24  1  0
M  END                                
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2,5-Bis(phenylethynyl)benzene-1,4-diol Smile 编码:
OC1C=C(C#CC2C=CC=CC=2)C(=CC=1C#CC1C=CC=CC=1)O
2,5-Bis(phenylethynyl)benzene-1,4-diol InChi 编码:
1S/C22H14O2/c23-21-16-20(14-12-18-9-5-2-6-10-18)22(24)15-19(21)13-11-17-7-3-1-4-8-17/h1-10,15-16,23-24H
2,5-Bis(phenylethynyl)benzene-1,4-diol InChiKey 编码:
BKNJMHYXUQQARZ-UHFFFAOYSA-N