NT1-O14B结构式

NT1-O14B
中文名称:NT1-O14B
英文名称:NT1-014B
CAS No.:2739805-64-0
分子式:C40H68N2O4S4 分子量:769.24
NT1-O14B 数据
Mol:
00 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2888   -2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1605   -1.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0208   -2.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8924   -1.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7527   -2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6243   -1.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4846   -2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442   -4.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700   -5.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   -4.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618   -5.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194   -4.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -5.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513   -4.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254   -5.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6831   -4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5572   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  9  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 20  2  0  0  0  0
 12 13  1  0  0  0  0
 13 19  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  0  0  0  0
 21  8  1  0  0  0  0
 22 23  2  0  0  0  0
 24 22  1  0  0  0  0
 24 26  1  0  0  0  0
 25 22  1  0  0  0  0
 25 21  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 26  1  0  0  0  0
 29  4  1  0  0  0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 29 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 47  1  0     0  0
 47 48  1  0     0  0
 48 49  1  0     0  0
 49 50  1  0     0  0
M  END                                
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NT1-O14B Smile 编码:
C(SSCCCCCCCCCC)COC(CCN(CCC(OCCSSCCCCCCCCCC)=O)CCC1C2C=CC=CC=2NC=1)=O
NT1-O14B InChi 编码:
1S/C40H68N2O4S4/c1-3-5-7-9-11-13-15-19-31-47-49-33-29-45-39(43)24-27-42(26-23-36-35-41-38-22-18-17-21-37(36)38)28-25-40(44)46-30-34-50-48-32-20-16-14-12-10-8-6-4-2/h17-18,21-22,35,41H,3-16,19-20,23-34H2,1-2H3
NT1-O14B InChiKey 编码:
LBQUNMQRWYTNHB-UHFFFAOYSA-N
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