2,7-二(4-羧基苯基)-9,9-二甲基芴结构式

2,7-二(4-羧基苯基)-9,9-二甲基芴
中文名称:2,7-二(4-羧基苯基)-9,9-二甲基芴
英文名称:4,4'-(9,9-Dimethyl-9H-fluorene-2,7-diyl)dibenzoic acid
CAS No.:1217979-48-0
分子式:C29H22O4 分子量:434.482588291168
2,7-二(4-羧基苯基)-9,9-二甲基芴 数据
Mol:
C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2194   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5380   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8913   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9046    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5247    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8687   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9273    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5020    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2553    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1740    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779    0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1514    0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0
  2 33  1  0
  3 32  2  0
  4 33  2  0
  5  6  1  0
  5  7  1  0
  5 10  1  0
  5 11  1  0
  6  8  2  0
  6 12  1  0
  7  9  2  0
  7 13  1  0
  8  9  1  0
  8 14  1  0
  9 15  1  0
 12 16  2  0
 13 17  2  0
 14 18  2  0
 15 19  2  0
 16 18  1  0
 16 20  1  0
 17 19  1  0
 17 21  1  0
 20 22  2  0
 20 24  1  0
 21 23  2  0
 21 25  1  0
 22 26  1  0
 23 27  1  0
 24 28  2  0
 25 29  2  0
 26 30  2  0
 27 31  2  0
 28 30  1  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
M  END                                
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2,7-二(4-羧基苯基)-9,9-二甲基芴 Smile 编码:
OC(C1C=CC(=CC=1)C1C=CC2C3C=CC(C4C=CC(C(=O)O)=CC=4)=CC=3C(C)(C)C=2C=1)=O
2,7-二(4-羧基苯基)-9,9-二甲基芴 InChi 编码:
1S/C29H22O4/c1-29(2)25-15-21(17-3-7-19(8-4-17)27(30)31)11-13-23(25)24-14-12-22(16-26(24)29)18-5-9-20(10-6-18)28(32)33/h3-16H,1-2H3,(H,30,31)(H,32,33)
2,7-二(4-羧基苯基)-9,9-二甲基芴 InChiKey 编码:
VCKDVSMFKPVBPU-UHFFFAOYSA-N