Cy3 马来酰亚胺结构式

Cy3 马来酰亚胺
中文名称:Cy3 马来酰亚胺
英文名称:Cyanine 3 maleimide
CAS No.:1593644-29-1
分子式:C36H43N4O3 分子量:579.751629114151
Cy3 马来酰亚胺 数据
Mol:
00 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5247   -1.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404   -3.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404   -4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3349    3.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520   -2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520   -4.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725    4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697   -3.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697   -4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167    2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6697    3.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872    4.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4036    4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  1  0      
  2  4  1  0      
  3  5  1  0
  3  6  2  0
  4  7  1  0      
  5  8  1  0
  5  9  2  0
  6 10  1  0      
  6 11  1  0
  7 12  1  0      
  8 11  1  0
  8 13  2  0
  9 14  1  0
 10 15  2  3      
 11 16  1  0      
 11 17  1  0      
 12 18  1  0      
 13 19  1  0
 14 19  2  0
 15 20  1  0      
 18 21  1  0      
 18 22  2  0      
 20 23  2  3      
 21 24  1  0      
 23 25  1  0
 23 26  1  0
 24 27  1  0      
 25 28  1  0      
 25 29  1  0
 26 30  1  0      
 26 31  1  0      
 26 32  1  0
 27 33  1  0      
 29 32  1  0
 29 34  2  0
 32 35  2  0
 33 36  1  0
 33 37  1  0
 34 38  1  0
 35 39  1  0
 36 40  2  0      
 36 41  1  0
 37 42  2  0      
 37 43  1  0
 38 39  2  0
 41 43  2  0
M  CHG  1   3   1
M  END                                
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Cy3 马来酰亚胺 Smile 编码:
C([N+]1=C(C(C)(C)C2=CC=CC=C12)C=CC=C1C(C2=CC=CC=C2N1C)(C)C)CCCCC(=O)NCCN1C(C=CC1=O)=O
Cy3 马来酰亚胺 InChi 编码:
1S/C36H42N4O3/c1-35(2)26-14-8-10-16-28(26)38(5)30(35)18-13-19-31-36(3,4)27-15-9-11-17-29(27)39(31)24-12-6-7-20-32(41)37-23-25-40-33(42)21-22-34(40)43/h8-11,13-19,21-22H,6-7,12,20,23-25H2,1-5H3/p+1
Cy3 马来酰亚胺 InChiKey 编码:
VGIOMTUJDCDPEN-UHFFFAOYSA-O