INNYA-22112902结构式

中文名称：INNYA-22112902

英文名称：INNYA-22112902

CAS No.：2410945-63-8
分子式：C₆₆H₉₉N₅O₂S₄ 分子量：1122.78

INNYA-22112902 数据

Mol:

1495    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1440    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0073    2.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    3.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8652    4.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8597    5.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7230    5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7176    6.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472   -1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608   -0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639    0.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228    1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3887    1.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475    2.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6134    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8723    3.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 36 42  1  0     0  0
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M  END

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INNYA-22112902 Smile 编码:

CCC(CN1C2C3SC(C=O)=C(CCCCCCCCCCC)C=3SC=2C2=C1C1=C(C3=C(N1CC(CC)CCCC)C1SC(C=O)=C(CCCCCCCCCCC)C=1S3)C1=NN(CC(CC)CCCC)N=C21)CCCC

INNYA-22112902 InChi 编码:

1S/C66H99N5O2S4/c1-9-17-22-24-26-28-30-32-34-39-49-51(44-72)74-65-59-63(76-61(49)65)53-55-56(68-71(67-55)43-48(16-8)38-21-13-5)54-58(57(53)69(59)41-46(14-6)36-19-11-3)70(42-47(15-7)37-20-12-4)60-64(54)77-62-50(52(45-73)75-66(60)62)40-35-33-31-29-27-25-23-18-10-2/h44-48H,9-43H2,1-8H3

INNYA-22112902 InChiKey 编码:

IABXMTRAIFYZCT-UHFFFAOYSA-N

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